CID 6641

Dicumyl peroxide

Structural Information

Molecular Formula
C18H22O2
SMILES
CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2
InChI
InChI=1S/C18H22O2/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKey
XMNIXWIUMCBBBL-UHFFFAOYSA-N
Compound name
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

54
References

76499
Patents

270.162 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 164.9
[M+Na]+ 293.15122 170.6
[M-H]- 269.15472 171.2
[M+NH4]+ 288.19582 181.0
[M+K]+ 309.12516 167.8
[M+H-H2O]+ 253.15926 157.6
[M+HCOO]- 315.16020 185.2
[M+CH3COO]- 329.17585 199.0
[M+Na-2H]- 291.13667 172.4
[M]+ 270.16145 167.3
[M]- 270.16255 167.3
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