CID 67439

Tricyclohexylidene peroxide

Structural Information

Molecular Formula
C18H30O6
SMILES
C1CCC2(CC1)OOC3(CCCCC3)OOC4(CCCCC4)OO2
InChI
InChI=1S/C18H30O6/c1-4-10-16(11-5-1)19-21-17(12-6-2-7-13-17)23-24-18(22-20-16)14-8-3-9-15-18/h1-15H2
InChIKey
JRYHDZOSVUAAJC-UHFFFAOYSA-N
Compound name
7,8,15,16,23,24-hexaoxatrispiro[5.2.59.2.517.26]tetracosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

342.20422 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21150 213.9
[M+Na]+ 365.19344 214.1
[M-H]- 341.19694 213.2
[M+NH4]+ 360.23804 213.3
[M+K]+ 381.16738 212.9
[M+H-H2O]+ 325.20148 205.5
[M+HCOO]- 387.20242 213.6
[M+CH3COO]- 401.21807 213.8
[M+Na-2H]- 363.17889 213.8
[M]+ 342.20367 213.3
[M]- 342.20477 213.3
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.