RefMet Compound Details

MW structure65144 (View MW Metabolite Database details)
RefMet nameCotinine
Systematic name1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
SMILESCN1[C@@H](CCC1=O)c1cccnc1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass176.094963 (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
FormulaC10H12N2OView other entries in RefMet with this formula
InChIKeyUIKROCXWUNQSPJ-VIFPVBQESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassNicotinic acid alkaloids
Sub ClassPyridine alkaloids
Pubchem CID854019
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)