CID 50990539

2377030-97-0

Structural Information

Molecular Formula
C6H8F3NO2
SMILES
C1C(CNC1C(F)(F)F)C(=O)O
InChI
InChI=1S/C6H8F3NO2/c7-6(8,9)4-1-3(2-10-4)5(11)12/h3-4,10H,1-2H2,(H,11,12)
InChIKey
BMFNEKKRPLEBFA-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05072 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05800 142.2
[M+Na]+ 206.03994 147.1
[M+NH4]+ 201.08454 146.2
[M+K]+ 222.01388 146.2
[M-H]- 182.04344 135.9
[M+Na-2H]- 204.02539 141.9
[M]+ 183.05017 140.4
[M]- 183.05127 140.4
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.