cotinine
Chemical Formula:
C10H12N2O
Molecular Weight:
176.218 Daltons
Monoisotopic Mass:
176.0949630177 Daltons
SMILES:
C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))
InChI:
1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-2742
RefMet:
Cotinine
MetaboLights:
MTBLC68641
HMDB:
HMDB01046
ChEBI:
68641
ChemSpider:
746405
PubChem (CID):
854019
Seed:
cpd24385
MetaNetX:
MNXM5102