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]+ 209.08084 142.7
[M+Na]+ 231.06278 151.8
[M-H]- 207.06628 150.7
[M+NH4]+ 226.10738 171.8
[M+K]+ 247.03672 151.2
[M+H-H2O]+ 191.07082 142.2
[M+HCOO]- 253.07176 161.5
[M+CH3COO]- 267.08741 157.2
[M+Na-2H]- 229.04823 145.9
[M]+ 208.07301 143.8
[M]- 208.07411 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