CID 82399166

1955553-18-0

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
CN1CC(C(C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H10F3NO2/c1-11-2-4(6(12)13)5(3-11)7(8,9)10/h4-5H,2-3H2,1H3,(H,12,13)
InChIKey
BSUNKTIHEYAQOW-UHFFFAOYSA-N
Compound name
1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.06636 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 137.5
[M+Na]+ 220.05558 145.5
[M-H]- 196.05908 134.6
[M+NH4]+ 215.10018 156.7
[M+K]+ 236.02952 143.9
[M+H-H2O]+ 180.06362 130.1
[M+HCOO]- 242.06456 152.6
[M+CH3COO]- 256.08021 180.4
[M+Na-2H]- 218.04103 138.5
[M]+ 197.06581 131.2
[M]- 197.06691 131.2
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

patents stripe