CID 3065930

109282-29-3

Structural Information

Molecular Formula
C9H8O4
SMILES
C1CC2C34CC3(C1O2)C(=O)OC4=O
InChI
InChI=1S/C9H8O4/c10-6-8-3-9(8,7(11)13-6)5-2-1-4(8)12-5/h4-5H,1-3H2
InChIKey
LYHNUBGRBFVDSE-UHFFFAOYSA-N
Compound name
8,11-dioxatetracyclo[4.3.1.12,5.01,6]undecane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04225 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04953 139.1
[M+Na]+ 203.03147 149.7
[M+NH4]+ 198.07607 151.6
[M+K]+ 219.00541 148.5
[M-H]- 179.03497 149.1
[M+Na-2H]- 201.01692 143.9
[M]+ 180.04170 144.8
[M]- 180.04280 144.8
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

No patent data available for this compound.