CID 643477

4-methoxy-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

COC1=CC(=O)OC1

InChI

InChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3

InChIKey

VOYDEHILKLSVNN-UHFFFAOYSA-N

Compound name

3-methoxy-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 109
Patents: 114.03169 Da
Monoisotopic Mass: -0.1
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]+	115.03897	116.3
[M+Na]+	137.02091	125.5
[M-H]-	113.02441	121.1
[M+NH4]+	132.06551	139.7
[M+K]+	152.99485	126.9
[M+H-H2O]+	97.028950	112.0
[M+HCOO]-	159.02989	141.5
[M+CH3COO]-	173.04554	165.9
[M+Na-2H]-	135.00636	124.0
[M]+	114.03114	118.7
[M]-	114.03224	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe