(-)-cotinine

(-)-cotinine bmse000577 - Data

Cotinine synonyms

Cotinine (-); (S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone

Wikipedia:

Graphical representations:

cotinine

View large 3D structure

Molecular Formula: C10H12N2O

Natural Isotopic Abundance Mass: 176.21508

Mono-Isotopic Molecular Masses:

  • C12N14: 176.0949630177
  • C13N14: 186.1285113957
  • C12N15: 178.0890328041
  • C13N15: 188.1225811821

InChI string: 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

PubChem Compound (CID): 854019
CAS Registry number: 486-56-6
Sigma-Aldrich: C5923_SIGMA
ZINC: ZINC00402766
PDSP: Prestwick_134
MMCD: cq_10869
MDL: MFCD00077696

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)