CID 15356347

Methyl 2-aminohex-5-enoate hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)C(CCC=C)N

InChI

InChI=1S/C7H13NO2/c1-3-4-5-6(8)7(9)10-2/h3,6H,1,4-5,8H2,2H3

InChIKey

PXKKJZHRWICJMF-UHFFFAOYSA-N

Compound name

methyl 2-aminohex-5-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 143.09464 Da
Monoisotopic Mass: 0.7
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]+	144.10192	132.1
[M+Na]+	166.08386	140.4
[M+NH4]+	161.12846	138.7
[M+K]+	182.05780	136.3
[M-H]-	142.08736	130.8
[M+Na-2H]-	164.06931	134.3
[M]+	143.09409	132.4
[M]-	143.09519	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe