CID 176865

Aceburic acid

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

CC(=O)OCCCC(=O)O

InChI

InChI=1S/C6H10O4/c1-5(7)10-4-2-3-6(8)9/h2-4H2,1H3,(H,8,9)

InChIKey

GOVNVPJYMDJYSR-UHFFFAOYSA-N

Compound name

4-acetyloxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 638
Patents: 146.0579 Da
Monoisotopic Mass: 0.0
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]+	147.06518	128.7
[M+Na]+	169.04712	135.7
[M-H]-	145.05062	127.8
[M+NH4]+	164.09172	149.4
[M+K]+	185.02106	136.2
[M+H-H2O]+	129.05516	124.3
[M+HCOO]-	191.05610	150.5
[M+CH3COO]-	205.07175	171.7
[M+Na-2H]-	167.03257	132.9
[M]+	146.05735	131.2
[M]-	146.05845	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe