CID 22169546

2-amino-5,5-difluorohexanoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁F₂NO₂

SMILES

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

InChI

InChI=1S/C6H11F2NO2/c1-6(7,8)3-2-4(9)5(10)11/h4H,2-3,9H2,1H3,(H,10,11)

InChIKey

SWIBLJLNQYWHHA-UHFFFAOYSA-N

Compound name

2-amino-5,5-difluorohexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 167.07579 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]+	168.08307	133.5
[M+Na]+	190.06501	139.7
[M-H]-	166.06851	129.3
[M+NH4]+	185.10961	152.6
[M+K]+	206.03895	138.9
[M+H-H2O]+	150.07305	127.4
[M+HCOO]-	212.07399	151.1
[M+CH3COO]-	226.08964	179.2
[M+Na-2H]-	188.05046	136.1
[M]+	167.07524	128.8
[M]-	167.07634	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe