CID 198705

115966-98-8

Structural Information

Molecular Formula
C11H12O4
SMILES
C1CC23C4CCC(C2(C1)C(=O)OC3=O)O4
InChI
InChI=1S/C11H12O4/c12-8-10-4-1-5-11(10,9(13)15-8)7-3-2-6(10)14-7/h6-7H,1-5H2
InChIKey
PEKHINVAKVDWJS-UHFFFAOYSA-N
Compound name
8,13-dioxatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 142.7
[M+Na]+ 231.062778 151.8
[M-H]- 207.066284 150.7
[M+NH4]+ 226.107383 171.8
[M+K]+ 247.036718 151.2
[M+H-H2O]+ 191.070820 142.2
[M+HCOO]- 253.071761 161.5
[M+CH3COO]- 267.087411 157.2
[M+Na-2H]- 229.048226 145.9
[M]+ 208.07301142 143.8
[M]- 208.07410858 143.8
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

patents stripe