CID 145905696

2378501-77-8

Structural Information

Molecular Formula
C10H16F3NO5
SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C(F)(F)F)O
InChI
InChI=1S/C10H16F3NO5/c1-8(2,3)19-7(17)14-5(6(15)16)9(4,18)10(11,12)13/h5,18H,1-4H3,(H,14,17)(H,15,16)
InChIKey
FIPQVRKJYFJYKH-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.09805 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10533 157.2
[M+Na]+ 310.08727 162.3
[M-H]- 286.09077 150.9
[M+NH4]+ 305.13187 171.1
[M+K]+ 326.06121 162.5
[M+H-H2O]+ 270.09531 151.0
[M+HCOO]- 332.09625 168.6
[M+CH3COO]- 346.11190 196.9
[M+Na-2H]- 308.07272 159.7
[M]+ 287.09750 153.5
[M]- 287.09860 153.5
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

No patent data available for this compound.