CID 76528

3088-74-2

Structural Information

Molecular Formula
C23H44O4
SMILES
CC(C)(C)OOC1CCC(CC1)C(C)(C)C2CCC(CC2)OOC(C)(C)C
InChI
InChI=1S/C23H44O4/c1-21(2,3)26-24-19-13-9-17(10-14-19)23(7,8)18-11-15-20(16-12-18)25-27-22(4,5)6/h17-20H,9-16H2,1-8H3
InChIKey
RHZOVXIYEDAUDL-UHFFFAOYSA-N
Compound name
1-tert-butylperoxy-4-[2-(4-tert-butylperoxycyclohexyl)propan-2-yl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

405
Patents

384.32397 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.331246 197.6
[M+Na]+ 407.313188 197.1
[M-H]- 383.316694 201.5
[M+NH4]+ 402.357793 209.2
[M+K]+ 423.287128 196.7
[M+H-H2O]+ 367.321230 190.8
[M+HCOO]- 429.322171 206.4
[M+CH3COO]- 443.337821 221.9
[M+Na-2H]- 405.298636 197.6
[M]+ 384.32342142 196.5
[M]- 384.32451858 196.5
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