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

16
Patents

273.0824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08968 153.5
[M+Na]+ 296.07162 159.8
[M-H]- 272.07512 148.8
[M+NH4]+ 291.11622 168.9
[M+K]+ 312.04556 160.4
[M+H-H2O]+ 256.07966 147.1
[M+HCOO]- 318.08060 167.8
[M+CH3COO]- 332.09625 194.7
[M+Na-2H]- 294.05707 158.1
[M]+ 273.08185 151.9
[M]- 273.08295 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