CID 10964545

Methyl 5-aminopentanoate hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

COC(=O)CCCCN

InChI

InChI=1S/C6H13NO2/c1-9-6(8)4-2-3-5-7/h2-5,7H2,1H3

InChIKey

ULBCJDXDVAJYNI-UHFFFAOYSA-N

Compound name

methyl 5-aminopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 503
Patents: 131.09464 Da
Monoisotopic Mass: 0.2
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]+	132.10192	128.6
[M+Na]+	154.08386	135.1
[M-H]-	130.08736	128.4
[M+NH4]+	149.12846	150.2
[M+K]+	170.05780	135.2
[M+H-H2O]+	114.09190	123.6
[M+HCOO]-	176.09284	152.5
[M+CH3COO]-	190.10849	174.5
[M+Na-2H]-	152.06931	133.5
[M]+	131.09409	129.5
[M]-	131.09519	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe