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]+ 198.073636 137.5
[M+Na]+ 220.055578 145.5
[M-H]- 196.059084 134.6
[M+NH4]+ 215.100183 156.7
[M+K]+ 236.029518 143.9
[M+H-H2O]+ 180.063620 130.1
[M+HCOO]- 242.064561 152.6
[M+CH3COO]- 256.080211 180.4
[M+Na-2H]- 218.041026 138.5
[M]+ 197.06581142 131.2
[M]- 197.06690858 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