CID 119

4-aminobutyric acid

Structural Information

Molecular Formula

SMILES

C(CC(=O)O)CN

InChI

InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

InChIKey

BTCSSZJGUNDROE-UHFFFAOYSA-N

Compound name

4-aminobutanoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 45519
References: 59335
Patents: 103.06333 Da
Monoisotopic Mass: -3.2
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]+	104.07061	119.3
[M+Na]+	126.05255	127.9
[M+NH4]+	121.09715	126.5
[M+K]+	142.02649	124.2
[M-H]-	102.05605	118.0
[M+Na-2H]-	124.03800	122.2
[M]+	103.06278	119.7
[M]-	103.06388	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe