Biological Magnetic Resonance Data Bank

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


Graphical representations:


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Molecular Formula: C7H9N2O+

Natural Isotopic Abundance Mass: 137.15916

Mono-Isotopic Molecular Masses:

  • C12N14: 137.0714879214
  • C13N14: 144.094971786
  • C12N15: 139.0655577078
  • C13N15: 146.0890415724

InChI string: InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1

KEGG Compound ID: C02918
ZINC: ZINC00155368
BioCyc: CPD-396
PubChem Compound (CID): 457
ChEBI: CHEBI:16797
ChemSpider: 19462240

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,