CID 61143129

(s)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid

Structural Information

Molecular Formula
C8H12F3NO3
SMILES
CC(C)(C)[C@@H](C(=O)O)NC(=O)C(F)(F)F
InChI
InChI=1S/C8H12F3NO3/c1-7(2,3)4(5(13)14)12-6(15)8(9,10)11/h4H,1-3H3,(H,12,15)(H,13,14)/t4-/m1/s1
InChIKey
FCTPLAZWXGEGKO-SCSAIBSYSA-N
Compound name
(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

227.07693 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08421 151.9
[M+Na]+ 250.06615 155.3
[M+NH4]+ 245.11075 154.3
[M+K]+ 266.04009 154.7
[M-H]- 226.06965 143.9
[M+Na-2H]- 248.05160 150.4
[M]+ 227.07638 149.4
[M]- 227.07748 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe