RefMet Compound Details

MW structure44859 (View MW Metabolite Database details)
RefMet nameCyclohexylamine
Systematic namecyclohexanamine
SMILESC1CCC(CC1)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass99.104799 (neutral)
Calculate m/z:   
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
InChIKeyPAFZNILMFXTMIY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassCyclohexylamines
Sub ClassCyclohexylamines
Pubchem CID7965
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)