CID 123708412

5-hydroxyoxolane-2,3-dione

Structural Information

Molecular Formula
C4H4O4
SMILES
C1C(OC(=O)C1=O)O
InChI
InChI=1S/C4H4O4/c5-2-1-3(6)8-4(2)7/h3,6H,1H2
InChIKey
GHMAEIIKOBMFLV-UHFFFAOYSA-N
Compound name
5-hydroxyoxolane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

116.010956 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.01823 115.3
[M+Na]+ 139.00017 124.6
[M-H]- 115.00368 118.8
[M+NH4]+ 134.04478 137.8
[M+K]+ 154.97411 125.2
[M+H-H2O]+ 99.008216 111.6
[M+HCOO]- 161.00916 138.1
[M+CH3COO]- 175.02481 163.0
[M+Na-2H]- 136.98562 121.4
[M]+ 116.01041 115.1
[M]- 116.01150 115.1
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

No patent data available for this compound.