CMDBS000001: 3-acetyloxy-4-(trimethylazaniumyl)butanoate


Name
3-acetyloxy-4-(trimethylazaniumyl)butanoate
Molecular Formula
C9H17NO4
Molecular Weight
203.24
Exact Mass
203.115758
SMILES
CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIKey
RDHQFKQIGNGIED-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3
Original Database
Other Databases
NA
2D&3D Structure
Classification (data sourced from ClassyFire)
  • kingdom  Organic compounds
  •        superclass  Lipids and lipid-like molecules
  •               class  Fatty Acyls
  •                      subclass  Fatty acid esters
  •                                    direct_parent  Acyl carnitines
Related predicted(in silico) Spectrum