CID 19622787

1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
C1CC(N(C1)CC(F)(F)F)C(=O)O
InChI
InChI=1S/C7H10F3NO2/c8-7(9,10)4-11-3-1-2-5(11)6(12)13/h5H,1-4H2,(H,12,13)
InChIKey
SXGHHVIQYAFXBM-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.06636 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 146.7
[M+Na]+ 220.05558 151.9
[M+NH4]+ 215.10018 150.8
[M+K]+ 236.02952 150.4
[M-H]- 196.05908 140.7
[M+Na-2H]- 218.04103 146.6
[M]+ 197.06581 145.1
[M]- 197.06691 145.1
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.