RefMet Compound Details

MW structure37502 (View MW Metabolite Database details)
RefMet nameTrimethylamine N-oxide
Systematic nameN,N-dimethylmethanamine oxide
SMILESC[N+](C)(C)[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass75.068414 (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
FormulaC3H9NOView other entries in RefMet with this formula
InChIKeyUYPYRKYUKCHHIB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassAmine oxides
Sub ClassTrisubstituted amine oxides
Pubchem CID1145
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)