CID 2734721

3-oxabicyclo[3.1.0]hexane-2,4-dione

Structural Information

Molecular Formula
C5H4O3
SMILES
C1C2C1C(=O)OC2=O
InChI
InChI=1S/C5H4O3/c6-4-2-1-3(2)5(7)8-4/h2-3H,1H2
InChIKey
ZRMYHUFDVLRYPN-UHFFFAOYSA-N
Compound name
3-oxabicyclo[3.1.0]hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

853
Patents

112.016045 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.02332 119.8
[M+Na]+ 135.00526 132.2
[M+NH4]+ 130.04987 129.1
[M+K]+ 150.97920 130.9
[M-H]- 111.00877 128.4
[M+Na-2H]- 132.99071 125.5
[M]+ 112.01550 124.9
[M]- 112.01659 124.9
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