CID 9812783

5-hydroxy-3,5-dimethyl-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula
C6H8O3
SMILES
CC1=CC(OC1=O)(C)O
InChI
InChI=1S/C6H8O3/c1-4-3-6(2,8)9-5(4)7/h3,8H,1-2H3
InChIKey
KMHXBSBEAHDUGB-UHFFFAOYSA-N
Compound name
5-hydroxy-3,5-dimethylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

128.04735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 119.4
[M+Na]+ 151.03657 129.7
[M-H]- 127.04007 123.4
[M+NH4]+ 146.08117 143.9
[M+K]+ 167.01051 130.0
[M+H-H2O]+ 111.04461 116.5
[M+HCOO]- 173.04555 142.8
[M+CH3COO]- 187.06120 167.0
[M+Na-2H]- 149.02202 126.8
[M]+ 128.04680 121.0
[M]- 128.04790 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe