CID 18189

4-acetamidobutyric acid

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CC(=O)NCCCC(=O)O

InChI

InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)

InChIKey

UZTFMUBKZQVKLK-UHFFFAOYSA-N

Compound name

4-acetamidobutanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 849
Patents: 145.0739 Da
Monoisotopic Mass: -0.6
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]+	146.08118	131.0
[M+Na]+	168.06312	138.6
[M+NH4]+	163.10772	136.9
[M+K]+	184.03706	135.4
[M-H]-	144.06662	128.7
[M+Na-2H]-	166.04857	132.7
[M]+	145.07335	130.8
[M]-	145.07445	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe