CID 3574547

Acetoxymethyl vinyl ketone

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC(=O)OCC(=O)C=C

InChI

InChI=1S/C6H8O3/c1-3-6(8)4-9-5(2)7/h3H,1,4H2,2H3

InChIKey

GZNCCNHJQSRXNU-UHFFFAOYSA-N

Compound name

2-oxobut-3-enyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 81
Patents: 128.04735 Da
Monoisotopic Mass: 0.5
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]+	129.05463	125.6
[M+Na]+	151.03657	135.3
[M+NH4]+	146.08117	132.3
[M+K]+	167.01051	131.2
[M-H]-	127.04007	123.6
[M+Na-2H]-	149.02202	128.3
[M]+	128.04680	126.0
[M]-	128.04790	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe