CID 115301

5-hydroxy-4-methyl-2(5h)-furanone

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

CC1=CC(=O)OC1O

InChI

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

InChIKey

XRNPHZPFAWLRNJ-UHFFFAOYSA-N

Compound name

2-hydroxy-3-methyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 189
Patents: 114.03169 Da
Monoisotopic Mass: -0.4
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	116.6
[M+Na]+	137.020908	126.3
[M-H]-	113.024414	120.3
[M+NH4]+	132.065513	139.5
[M+K]+	152.994848	126.7
[M+H-H2O]+	97.028950	112.8
[M+HCOO]-	159.029891	140.2
[M+CH3COO]-	173.045541	164.4
[M+Na-2H]-	135.006356	123.1
[M]+	114.03114142	117.4
[M]-	114.03223858	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe