CID 13050369

4-amino-5,5-difluoropentanoic acid hydrochloride

Structural Information

Molecular Formula

C₅H₉F₂NO₂

SMILES

C(CC(=O)O)C(C(F)F)N

InChI

InChI=1S/C5H9F2NO2/c6-5(7)3(8)1-2-4(9)10/h3,5H,1-2,8H2,(H,9,10)

InChIKey

OONKUSOSFMPOHE-UHFFFAOYSA-N

Compound name

4-amino-5,5-difluoropentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 153.06013 Da
Monoisotopic Mass: -2.2
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]+	154.06741	129.9
[M+Na]+	176.04935	135.8
[M-H]-	152.05285	125.7
[M+NH4]+	171.09395	149.4
[M+K]+	192.02329	135.4
[M+H-H2O]+	136.05739	123.4
[M+HCOO]-	198.05833	148.4
[M+CH3COO]-	212.07398	176.8
[M+Na-2H]-	174.03480	131.0
[M]+	153.05958	124.7
[M]-	153.06068	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe