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

50
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 116.4
[M+Na]+ 136.98453 129.2
[M-H]- 112.98803 124.0
[M+NH4]+ 132.02913 134.7
[M+K]+ 152.95847 129.6
[M+H-H2O]+ 96.992570 112.2
[M+HCOO]- 158.99351 138.8
[M+CH3COO]- 173.00916 170.0
[M+Na-2H]- 134.96998 125.6
[M]+ 113.99476 122.6
[M]- 113.99586 122.6
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