CID 107280

4415-87-6

Structural Information

Molecular Formula
C8H4O6
SMILES
C12C(C3C1C(=O)OC3=O)C(=O)OC2=O
InChI
InChI=1S/C8H4O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-4H
InChIKey
YGYCECQIOXZODZ-UHFFFAOYSA-N
Compound name
4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16148
Patents

196.0008 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00808 121.1
[M+Na]+ 218.99002 130.3
[M-H]- 194.99352 128.8
[M+NH4]+ 214.03462 137.2
[M+K]+ 234.96396 134.1
[M+H-H2O]+ 178.99806 115.2
[M+HCOO]- 240.99900 140.8
[M+CH3COO]- 255.01465 186.3
[M+Na-2H]- 216.97547 126.3
[M]+ 196.00025 133.9
[M]- 196.00135 133.9
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