CID 112042

5-methoxyfuran-2(5h)-one

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

COC1C=CC(=O)O1

InChI

InChI=1S/C5H6O3/c1-7-5-3-2-4(6)8-5/h2-3,5H,1H3

InChIKey

LRHFWTSUYLXTPU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 596
Patents: 114.03169 Da
Monoisotopic Mass: 0.2
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]+	115.038966	116.3
[M+Na]+	137.020908	125.5
[M-H]-	113.024414	121.1
[M+NH4]+	132.065513	139.7
[M+K]+	152.994848	126.9
[M+H-H2O]+	97.028950	112.0
[M+HCOO]-	159.029891	141.5
[M+CH3COO]-	173.045541	165.9
[M+Na-2H]-	135.006356	124.0
[M]+	114.03114142	118.7
[M]-	114.03223858	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe