CID 45792556

1185296-42-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

257.0875 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe