Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

(+/-) Nicotine

Graphical representations:


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Molecular Formula: C10H14N2

Natural Isotopic Abundance Mass: 162.2315600000

Mono-Isotopic Molecular Masses:

  • C12N14: 162.11569846
  • C13N14: 172.149246838
  • C12N15: 164.109768246
  • C13N15: 172.149246838

InChI string: InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i10+2

IUPAC: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

PubChem Compound (CID): 175605
KEGG Compound ID: C00745
CAS Registry number: 94292-33-8
ChEBI: 17688

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,