CID 106705012

2-{[(tert-butoxy)carbonyl]amino}-3-(2,2,2-trifluoroethoxy)propanoic acid

Structural Information

Molecular Formula
C10H16F3NO5
SMILES
CC(C)(C)OC(=O)NC(COCC(F)(F)F)C(=O)O
InChI
InChI=1S/C10H16F3NO5/c1-9(2,3)19-8(17)14-6(7(15)16)4-18-5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
ZYKJIQMLTCQHEM-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

287.09805 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10533 159.2
[M+Na]+ 310.08727 164.3
[M-H]- 286.09077 153.9
[M+NH4]+ 305.13187 173.7
[M+K]+ 326.06121 164.7
[M+H-H2O]+ 270.09531 151.9
[M+HCOO]- 332.09625 173.6
[M+CH3COO]- 346.11190 198.7
[M+Na-2H]- 308.07272 160.7
[M]+ 287.09750 158.0
[M]- 287.09860 158.0
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