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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.07364	147.1
[M+Na]+	220.05558	152.7
[M+NH4]+	215.10018	151.2
[M+K]+	236.02952	151.3
[M-H]-	196.05908	141.2
[M+Na-2H]-	218.04103	146.9
[M]+	197.06581	145.6
[M]-	197.06691	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe