CID 115301

40834-42-2

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: 140
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]+	115.03897	118.2
[M+Na]+	137.02091	129.2
[M+NH4]+	132.06551	126.3
[M+K]+	152.99485	127.1
[M-H]-	113.02441	119.7
[M+Na-2H]-	135.00636	122.2
[M]+	114.03114	120.0
[M]-	114.03224	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe