CID 23365

4-aminobutyrate ethyl hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCOC(=O)CCCN

InChI

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

InChIKey

MAFQLJCYFMKEJJ-UHFFFAOYSA-N

Compound name

ethyl 4-aminobutanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1928
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	127.9
[M+Na]+	154.08386	136.7
[M+NH4]+	149.12846	135.1
[M+K]+	170.05780	132.1
[M-H]-	130.08736	127.1
[M+Na-2H]-	152.06931	130.9
[M]+	131.09409	128.5
[M]-	131.09519	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe