CID 12799211

22438-62-6

Structural Information

Molecular Formula
C5H6O3
SMILES
CC1=C(C(=O)OC1)O
InChI
InChI=1S/C5H6O3/c1-3-2-8-5(7)4(3)6/h6H,2H2,1H3
InChIKey
WXXOVRUZZHZUNY-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

114.03169 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe