CID 2755241

(2s)-3-methyl-2-(trifluoroacetamido)butanoic acid

Structural Information

Molecular Formula
C7H10F3NO3
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)C(F)(F)F
InChI
InChI=1S/C7H10F3NO3/c1-3(2)4(5(12)13)11-6(14)7(8,9)10/h3-4H,1-2H3,(H,11,14)(H,12,13)/t4-/m0/s1
InChIKey
XZNJCFYYNFONPC-BYPYZUCNSA-N
Compound name
(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

213.06128 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06856 141.1
[M+Na]+ 236.05050 146.9
[M-H]- 212.05400 136.1
[M+NH4]+ 231.09510 158.4
[M+K]+ 252.02444 146.8
[M+H-H2O]+ 196.05854 134.0
[M+HCOO]- 258.05948 156.5
[M+CH3COO]- 272.07513 187.3
[M+Na-2H]- 234.03595 141.5
[M]+ 213.06073 135.9
[M]- 213.06183 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe