CID 45791771

2-{[(2,2,2-trifluoroethoxy)carbonyl]amino}acetic acid

Structural Information

Molecular Formula
C5H6F3NO4
SMILES
C(C(=O)O)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C5H6F3NO4/c6-5(7,8)2-13-4(12)9-1-3(10)11/h1-2H2,(H,9,12)(H,10,11)
InChIKey
NHKPMEUDEOXKQX-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.02489 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.03217 134.8
[M+Na]+ 224.01411 141.8
[M-H]- 200.01761 130.0
[M+NH4]+ 219.05871 152.7
[M+K]+ 239.98805 141.7
[M+H-H2O]+ 184.02215 127.6
[M+HCOO]- 246.02309 153.1
[M+CH3COO]- 260.03874 180.9
[M+Na-2H]- 221.99956 138.7
[M]+ 201.02434 131.5
[M]- 201.02544 131.5
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.