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:


View large 3D structure

Molecular Formula: C4H12N+

Natural Isotopic Abundance Mass: 74.14478

Mono-Isotopic Molecular Masses:

  • C12N14: 74.0969743904
  • C13N14: 78.1103937416
  • C12N15: 75.0940092836
  • C13N15: 79.1074286348

InChI string: InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1

PubChem Compound (CID): 6380
CAS Registry number: 14190-16-0
MMCD: cq_15732
CAS Registry number: 75-58-1 51-92-3 75-57-0
Sigma-Aldrich: 02799_FLUKA
ChEBI: CHEBI:46020
MMDB: 75809.6
NMRShiftDB: 20045262
BioCyc: CPD-7679
ZINC: ZINC00967771
PDB Compound ID: TMA

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,