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

1
Patents

116.010956 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.018232 115.3
[M+Na]+ 139.000174 124.6
[M-H]- 115.003680 118.8
[M+NH4]+ 134.044779 137.8
[M+K]+ 154.974114 125.2
[M+H-H2O]+ 99.008216 111.6
[M+HCOO]- 161.009157 138.1
[M+CH3COO]- 175.024807 163.0
[M+Na-2H]- 136.985622 121.4
[M]+ 116.01040742 115.1
[M]- 116.01150458 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

patents stripe