CID 11043389

207118-08-9

Structural Information

Molecular Formula
C9H14F3NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)C(=O)O
InChI
InChI=1S/C9H14F3NO4/c1-8(2,3)17-7(16)13-5(6(14)15)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,16)(H,14,15)/t5-/m1/s1
InChIKey
UCUKFQMRNHNNQY-RXMQYKEDSA-N
Compound name
(2R)-4,4,4-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

257.0875 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09478 158.2
[M+Na]+ 280.07672 161.0
[M+NH4]+ 275.12132 159.9
[M+K]+ 296.05066 160.7
[M-H]- 256.08022 149.6
[M+Na-2H]- 278.06217 156.0
[M]+ 257.08695 155.4
[M]- 257.08805 155.4
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