CID 165664767

2408971-47-9

Structural Information

Molecular Formula

C₅H₉F₂NO₂

SMILES

C(CN)C(CC(=O)O)(F)F

InChI

InChI=1S/C5H9F2NO2/c6-5(7,1-2-8)3-4(9)10/h1-3,8H2,(H,9,10)

InChIKey

YSEBJQVUUGTXSR-UHFFFAOYSA-N

Compound name

5-amino-3,3-difluoropentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.06013 Da
Monoisotopic Mass: -2.5
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]+	154.067406	128.7
[M+Na]+	176.049348	135.5
[M-H]-	152.052854	124.6
[M+NH4]+	171.093953	148.4
[M+K]+	192.023288	134.5
[M+H-H2O]+	136.057390	122.7
[M+HCOO]-	198.058331	147.7
[M+CH3COO]-	212.073981	175.3
[M+Na-2H]-	174.034796	133.1
[M]+	153.05958142	124.3
[M]-	153.06067858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.