CID 50990537

1-[(2,2,2-trifluoroethoxy)carbonyl]pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H10F3NO4
SMILES
C1CC(N(C1)C(=O)OCC(F)(F)F)C(=O)O
InChI
InChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-3-1-2-5(12)6(13)14/h5H,1-4H2,(H,13,14)
InChIKey
LCFAZZGZAOLUNV-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0562 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06348 146.8
[M+Na]+ 264.04542 153.5
[M-H]- 240.04892 143.6
[M+NH4]+ 259.09002 163.8
[M+K]+ 280.01936 152.5
[M+H-H2O]+ 224.05346 138.9
[M+HCOO]- 286.05440 161.3
[M+CH3COO]- 300.07005 185.0
[M+Na-2H]- 262.03087 147.1
[M]+ 241.05565 142.0
[M]- 241.05675 142.0
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

No patent data available for this compound.