BMRB

Biological Magnetic Resonance Data Bank


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

3,3-difluoro-N-methylcyclobutan-1-amine

3,3-difluoro-N-methylcyclobutan-1-amine bmse012644 - Data

3,3-difluoro-N-methylcyclobutan-1-amine synonyms

Wikipedia:

Graphical representations:

3,3-difluoro-N-methylcyclobutan-1-amine

View large 3D structure

Molecular Formula: C5H9F2N

Natural Isotopic Abundance Mass: 121.1284664

Mono-Isotopic Molecular Masses:

  • C12N14: 121.070305733
  • C13N14: 126.087079923
  • C12N15: 122.067340626
  • C13N15: 127.08411481600001

InChI string: InChI=1S/C5H9F2N/c1-8-4-2-5(6,7)3-4/h4,8H,2-3H2,1H3

EU-OPENSCREEN: EOS103475

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, https://www.nature.com/articles/sdata201773)