CID 76361

Einecs 221-113-3

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

15
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 178.1
[M+Na]+ 339.25057 181.8
[M-H]- 315.25407 180.6
[M+NH4]+ 334.29517 195.3
[M+K]+ 355.22451 182.7
[M+H-H2O]+ 299.25861 174.0
[M+HCOO]- 361.25955 191.6
[M+CH3COO]- 375.27520 207.8
[M+Na-2H]- 337.23602 183.1
[M]+ 316.26080 182.2
[M]- 316.26190 182.2
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.