CID 45791528

Ethyl 2-{[(2,2,2-trifluoroethoxy)carbonyl]amino}acetate

Structural Information

Molecular Formula
C7H10F3NO4
SMILES
CCOC(=O)CNC(=O)OCC(F)(F)F
InChI
InChI=1S/C7H10F3NO4/c1-2-14-5(12)3-11-6(13)15-4-7(8,9)10/h2-4H2,1H3,(H,11,13)
InChIKey
BBEHOVWWDPJBHI-UHFFFAOYSA-N
Compound name
ethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0562 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06348 144.0
[M+Na]+ 252.04542 150.7
[M-H]- 228.04892 140.3
[M+NH4]+ 247.09002 161.6
[M+K]+ 268.01936 151.0
[M+H-H2O]+ 212.05346 136.3
[M+HCOO]- 274.05440 163.2
[M+CH3COO]- 288.07005 188.8
[M+Na-2H]- 250.03087 147.4
[M]+ 229.05565 143.3
[M]- 229.05675 143.3
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.