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: C7H16NO2+

Natural Isotopic Abundance Mass: 146.20744

Mono-Isotopic Molecular Masses:

  • C12N14: 146.118103763
  • C13N14: 153.1415876276
  • C12N15: 147.1151386562
  • C13N15: 154.1386225208

InChI string: InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1

PubChem Compound (CID): 134
CAS Registry number: 6249-56-5
MMCD: cq_00810
MDL number: MFCD00011905
Sigma-Aldrich: 403245_ALDRICH
ChemSpider: 14090229
KEGG Compound ID: C01181

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,