CID 338812

1575-46-8

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

CC1=C(C(=O)OC1)C

InChI

InChI=1S/C6H8O2/c1-4-3-8-6(7)5(4)2/h3H2,1-2H3

InChIKey

QHQDWCHELGHSTO-UHFFFAOYSA-N

Compound name

3,4-dimethyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 90
Patents: 112.05243 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]+	113.05971	119.0
[M+Na]+	135.04165	130.9
[M+NH4]+	130.08625	127.8
[M+K]+	151.01559	127.6
[M-H]-	111.04515	121.5
[M+Na-2H]-	133.02710	123.8
[M]+	112.05188	121.3
[M]-	112.05298	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe