CID 2761690

(s)-3-aminohex-5-enoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C=CC[C@@H](CC(=O)O)N

InChI

InChI=1S/C6H11NO2/c1-2-3-5(7)4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1

InChIKey

UEMNCMYSSFWTCS-YFKPBYRVSA-N

Compound name

(3S)-3-aminohex-5-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2627
Patents: 129.07898 Da
Monoisotopic Mass: -2.3
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	128.2
[M+Na]+	152.06820	134.3
[M-H]-	128.07170	126.6
[M+NH4]+	147.11280	148.9
[M+K]+	168.04214	133.3
[M+H-H2O]+	112.07624	123.6
[M+HCOO]-	174.07718	149.7
[M+CH3COO]-	188.09283	172.5
[M+Na-2H]-	150.05365	131.3
[M]+	129.07843	125.9
[M]-	129.07953	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe