Biological Magnetic Resonance Data Bank

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


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Molecular Formula: C5H14NO+

Natural Isotopic Abundance Mass: 104.1702114201

Mono-Isotopic Molecular Masses:

  • C12N14: 104.106990497
  • C13N14: 109.123764686
  • C12N15: 105.10402539
  • C13N15: 109.123764686

InChI string: InChI=1/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

IUPAC: 2-hydroxyethyl-trimethyl-azanium

PubChem Compound (CID): 305
KEGG Compound ID: C00114
ChemIDplus: 000062497
CAS Registry number: 67-48-1 62-49-7 139741-81-4
EINECS: 200-535-1
CCRIS: 5847
Beilstein Handbook Reference: 3-04-00-00651

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,