CID 528

4-acetyloxy-2-aminobutanoic acid

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

CC(=O)OCCC(C(=O)O)N

InChI

InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)

InChIKey

FCXZBWSIAGGPCB-UHFFFAOYSA-N

Compound name

4-acetyloxy-2-aminobutanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 57
References: 1510
Patents: 161.0688 Da
Monoisotopic Mass: -3.8
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]+	162.07608	134.0
[M+Na]+	184.05802	140.6
[M+NH4]+	179.10262	139.1
[M+K]+	200.03196	139.0
[M-H]-	160.06152	130.8
[M+Na-2H]-	182.04347	134.4
[M]+	161.06825	133.3
[M]-	161.06935	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe