CID 97422

25574-69-0

Structural Information

Molecular Formula
C8H4O7
SMILES
C12C3C(C(=O)OC3=O)OC1C(=O)OC2=O
InChI
InChI=1S/C8H4O7/c9-5-1-2-4(8(12)15-6(2)10)13-3(1)7(11)14-5/h1-4H
InChIKey
JASHGAIOBWYPBI-UHFFFAOYSA-N
Compound name
4,7,10-trioxatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1678
Patents

211.9957 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00298 137.4
[M+Na]+ 234.98492 145.5
[M+NH4]+ 230.02952 143.8
[M+K]+ 250.95886 150.0
[M-H]- 210.98842 139.4
[M+Na-2H]- 232.97037 134.4
[M]+ 211.99515 138.6
[M]- 211.99625 138.6
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