CID 76361

3007-19-0

Structural Information

Molecular Formula
C18H36O4
SMILES
CC(C)(C)C1CCC(CC1)(OOC(C)(C)C)OOC(C)(C)C
InChI
InChI=1S/C18H36O4/c1-15(2,3)14-10-12-18(13-11-14,21-19-16(4,5)6)22-20-17(7,8)9/h14H,10-13H2,1-9H3
InChIKey
MBQBCEOICFPWKQ-UHFFFAOYSA-N
Compound name
4-tert-butyl-1,1-bis(tert-butylperoxy)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

316.26135 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.26863 177.1
[M+Na]+ 339.25057 184.2
[M+NH4]+ 334.29517 184.2
[M+K]+ 355.22451 179.3
[M-H]- 315.25407 175.7
[M+Na-2H]- 337.23602 180.7
[M]+ 316.26080 177.9
[M]- 316.26190 177.9
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