CID 3968638

126535-83-9

Structural Information

Molecular Formula
C9H14F3NO5
SMILES
CC(C)(C)OC(=O)NC(C(=O)OC)(C(F)(F)F)O
InChI
InChI=1S/C9H14F3NO5/c1-7(2,3)18-6(15)13-8(16,5(14)17-4)9(10,11)12/h16H,1-4H3,(H,13,15)
InChIKey
SHIDZFBWGGFCLD-UHFFFAOYSA-N
Compound name
methyl 3,3,3-trifluoro-2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

273.0824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.089676 153.5
[M+Na]+ 296.071618 159.8
[M-H]- 272.075124 148.8
[M+NH4]+ 291.116223 168.9
[M+K]+ 312.045558 160.4
[M+H-H2O]+ 256.079660 147.1
[M+HCOO]- 318.080601 167.8
[M+CH3COO]- 332.096251 194.7
[M+Na-2H]- 294.057066 158.1
[M]+ 273.08185142 151.9
[M]- 273.08294858 151.9
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