CID 67983317

2413899-62-2

Structural Information

Molecular Formula

C₆H₈F₃NO₂

SMILES

C1CNC(C1C(=O)O)C(F)(F)F

InChI

InChI=1S/C6H8F3NO2/c7-6(8,9)4-3(5(11)12)1-2-10-4/h3-4,10H,1-2H2,(H,11,12)

InChIKey

ZNSRLKAYJUJFGW-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 183.05072 Da
Monoisotopic Mass: -1.6
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]+	184.05800	142.2
[M+Na]+	206.03994	147.1
[M+NH4]+	201.08454	146.2
[M+K]+	222.01388	146.2
[M-H]-	182.04344	135.9
[M+Na-2H]-	204.02539	141.9
[M]+	183.05017	140.4
[M]-	183.05127	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe