CID 62835

28664-35-9

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC1C(=C(C(=O)O1)O)C

InChI

InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3

InChIKey

UNYNVICDCJHOPO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 40
References: 3766
Patents: 128.04735 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]+	129.05463	122.2
[M+Na]+	151.03657	133.4
[M+NH4]+	146.08117	130.1
[M+K]+	167.01051	131.3
[M-H]-	127.04007	123.8
[M+Na-2H]-	149.02202	125.8
[M]+	128.04680	124.0
[M]-	128.04790	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe