CID 76997

Tert-butyl cumyl peroxide

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(C)(C)OOC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C13H20O2/c1-12(2,3)14-15-13(4,5)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKey
BIISIZOQPWZPPS-UHFFFAOYSA-N
Compound name
2-tert-butylperoxypropan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45688
Patents

208.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 148.6
[M+Na]+ 231.135548 155.3
[M-H]- 207.139054 152.2
[M+NH4]+ 226.180153 167.9
[M+K]+ 247.109488 154.5
[M+H-H2O]+ 191.143590 143.4
[M+HCOO]- 253.144531 169.3
[M+CH3COO]- 267.160181 187.7
[M+Na-2H]- 229.120996 156.3
[M]+ 208.14578142 152.0
[M]- 208.14687858 152.0
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