CID 6441491

77842-77-4

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C/C=C/CC(C(=O)O)N

InChI

InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+

InChIKey

OPOBBDXDRHKTJF-NSCUHMNNSA-N

Compound name

(E)-2-aminohex-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 141
Patents: 129.07898 Da
Monoisotopic Mass: -2.0
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	128.5
[M+Na]+	152.06820	134.6
[M-H]-	128.07170	126.9
[M+NH4]+	147.11280	149.2
[M+K]+	168.04214	133.6
[M+H-H2O]+	112.07624	123.8
[M+HCOO]-	174.07718	150.0
[M+CH3COO]-	188.09283	171.8
[M+Na-2H]-	150.05365	131.5
[M]+	129.07843	126.0
[M]-	129.07953	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe