CID 18614

Methyl 4-aminobutanoate

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

COC(=O)CCCN

InChI

InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3

InChIKey

KVQGGLZHHFGHPU-UHFFFAOYSA-N

Compound name

methyl 4-aminobutanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1795
Patents: 117.07898 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]+	118.08626	123.5
[M+Na]+	140.06820	132.5
[M+NH4]+	135.11280	130.9
[M+K]+	156.04214	128.2
[M-H]-	116.07170	122.8
[M+Na-2H]-	138.05365	126.7
[M]+	117.07843	124.2
[M]-	117.07953	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe