CID 63708735

1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
CN1CCC(C1)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H10F3NO2/c1-11-3-2-6(4-11,5(12)13)7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKey
YCYUVEPWNGWDMF-UHFFFAOYSA-N
Compound name
1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 145.9
[M+Na]+ 220.05558 151.3
[M+NH4]+ 215.10018 151.4
[M+K]+ 236.02952 148.3
[M-H]- 196.05908 140.0
[M+Na-2H]- 218.04103 147.4
[M]+ 197.06581 144.5
[M]- 197.06691 144.5
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.