CID 45026867

3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula

C₆H₈F₃NO₂

SMILES

C1CNCC1(C(=O)O)C(F)(F)F

InChI

InChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)1-2-10-3-5/h10H,1-3H2,(H,11,12)

InChIKey

VEUBBZBEISLEIY-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 183.05072 Da
Monoisotopic Mass: -1.9
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	134.0
[M+Na]+	206.03994	141.1
[M-H]-	182.04344	129.5
[M+NH4]+	201.08454	154.5
[M+K]+	222.01388	139.0
[M+H-H2O]+	166.04798	127.4
[M+HCOO]-	228.04892	147.9
[M+CH3COO]-	242.06457	171.9
[M+Na-2H]-	204.02539	137.6
[M]+	183.05017	125.0
[M]-	183.05127	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe