CID 2734924

Einecs 216-941-7

Structural Information

Molecular Formula
C31H60O8
SMILES
CC(C)(C)OOC1(CCC(CC1)C(C)(C)C2CCC(CC2)(OOC(C)(C)C)OOC(C)(C)C)OOC(C)(C)C
InChI
InChI=1S/C31H60O8/c1-25(2,3)32-36-30(37-33-26(4,5)6)19-15-23(16-20-30)29(13,14)24-17-21-31(22-18-24,38-34-27(7,8)9)39-35-28(10,11)12/h23-24H,15-22H2,1-14H3
InChIKey
ZHKCHSNXUCRFSM-UHFFFAOYSA-N
Compound name
4-[2-[4,4-bis(tert-butylperoxy)cyclohexyl]propan-2-yl]-1,1-bis(tert-butylperoxy)cyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3554
Patents

560.42883 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.43611 231.1
[M+Na]+ 583.41805 229.2
[M-H]- 559.42155 234.1
[M+NH4]+ 578.46265 228.1
[M+K]+ 599.39199 233.2
[M+H-H2O]+ 543.42609 226.8
[M+HCOO]- 605.42703 244.5
[M+CH3COO]- 619.44268 251.9
[M+Na-2H]- 581.40350 237.3
[M]+ 560.42828 238.6
[M]- 560.42938 238.6
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