CID 15664956

2-aminohex-5-enoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C=CCCC(C(=O)O)N

InChI

InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)

InChIKey

NPSWHDAHNWWMEG-UHFFFAOYSA-N

Compound name

2-aminohex-5-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 697
Patents: 129.07898 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]+	130.08626	128.0
[M+Na]+	152.06820	135.9
[M+NH4]+	147.11280	134.4
[M+K]+	168.04214	132.4
[M-H]-	128.07170	126.2
[M+Na-2H]-	150.05365	129.8
[M]+	129.07843	128.1
[M]-	129.07953	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe