CID 2734924

1705-60-8

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

3282
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 224.7
[M+Na]+ 583.41805 226.8
[M+NH4]+ 578.46265 229.2
[M+K]+ 599.39199 250.4
[M-H]- 559.42155 221.7
[M+Na-2H]- 581.40350 228.1
[M]+ 560.42828 224.4
[M]- 560.42938 224.4
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