CID 20301152

2253639-41-5

Structural Information

Molecular Formula

C₆H₉F₂NO₂

SMILES

CC1(CC(CN1)(F)F)C(=O)O

InChI

InChI=1S/C6H9F2NO2/c1-5(4(10)11)2-6(7,8)3-9-5/h9H,2-3H2,1H3,(H,10,11)

InChIKey

VUQFCVHLMDDEJL-UHFFFAOYSA-N

Compound name

4,4-difluoro-2-methylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 165.06013 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]+	166.067406	129.3
[M+Na]+	188.049348	137.8
[M-H]-	164.052854	126.6
[M+NH4]+	183.093953	152.7
[M+K]+	204.023288	135.8
[M+H-H2O]+	148.057390	124.3
[M+HCOO]-	210.058331	145.9
[M+CH3COO]-	224.073981	170.5
[M+Na-2H]-	186.034796	133.3
[M]+	165.05958142	123.0
[M]-	165.06067858	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe