CID 4231377

3,6-dioxabicyclo[3.1.0]hexane-2,4-dione

Structural Information

Molecular Formula
C4H2O4
SMILES
C12C(O1)C(=O)OC2=O
InChI
InChI=1S/C4H2O4/c5-3-1-2(7-1)4(6)8-3/h1-2H
InChIKey
ILABOOGTVTXVFN-UHFFFAOYSA-N
Compound name
3,6-dioxabicyclo[3.1.0]hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

113.99531 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.00259 119.3
[M+Na]+ 136.98453 131.8
[M+NH4]+ 132.02913 128.1
[M+K]+ 152.95847 131.4
[M-H]- 112.98803 128.7
[M+Na-2H]- 134.96998 124.3
[M]+ 113.99476 124.7
[M]- 113.99586 124.7
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