RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0113202
RefMet nameCyclohexylamine
Systematic namecyclohexanamine
SynonymsPubChem Synonyms
Exact mass99.104799 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H13NView other entries in RefMet with this formula
Molecular descriptors
Molfile44859 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
InChIKeyPAFZNILMFXTMIY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC1CCC(CC1)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic nitrogen compounds
Main ClassCyclohexylamines
Sub ClassCyclohexylamines
Distribution of Cyclohexylamine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Cyclohexylamine
External Links
Pubchem CID7965
ChEBI ID15773
KEGG IDC00571
HMDB IDHMDB0031404
Chemspider ID7677
EPA CompToxDTXCID203996
Spectral data for Cyclohexylamine standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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