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]+ 343.211496 213.9
[M+Na]+ 365.193438 214.1
[M-H]- 341.196944 213.2
[M+NH4]+ 360.238043 213.3
[M+K]+ 381.167378 212.9
[M+H-H2O]+ 325.201480 205.5
[M+HCOO]- 387.202421 213.6
[M+CH3COO]- 401.218071 213.8
[M+Na-2H]- 363.178886 213.8
[M]+ 342.20367142 213.3
[M]- 342.20476858 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

literature stripe

Patent stripe

patents stripe