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 136.8
[M+Na]+ 220.05558 144.9
[M-H]- 196.05908 134.0
[M+NH4]+ 215.10018 157.9
[M+K]+ 236.02952 143.5
[M+H-H2O]+ 180.06362 130.3
[M+HCOO]- 242.06456 152.0
[M+CH3COO]- 256.08021 178.7
[M+Na-2H]- 218.04103 139.9
[M]+ 197.06581 130.5
[M]- 197.06691 130.5
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.