CID 110757

6053-68-5

Structural Information

Molecular Formula
C9H6O6
SMILES
C1C2C(C3C1C(=O)OC3=O)C(=O)OC2=O
InChI
InChI=1S/C9H6O6/c10-6-2-1-3-5(4(2)8(12)14-6)9(13)15-7(3)11/h2-5H,1H2
InChIKey
NLWBEORDOPDUPM-UHFFFAOYSA-N
Compound name
4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2202
Patents

210.01643 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02371 139.4
[M+Na]+ 233.00565 147.4
[M+NH4]+ 228.05025 146.3
[M+K]+ 248.97959 150.8
[M-H]- 209.00915 140.6
[M+Na-2H]- 230.99110 137.0
[M]+ 210.01588 140.4
[M]- 210.01698 140.4
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