CID 3015505

Tert-butyl isopropylphenyl peroxide

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(C)C1=CC=CC=C1OOC(C)(C)C
InChI
InChI=1S/C13H20O2/c1-10(2)11-8-6-7-9-12(11)14-15-13(3,4)5/h6-10H,1-5H3
InChIKey
WVGXBYVKFQJQGN-UHFFFAOYSA-N
Compound name
1-tert-butylperoxy-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2223
Patents

208.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 148.2
[M+Na]+ 231.135548 155.2
[M-H]- 207.139054 152.0
[M+NH4]+ 226.180153 167.7
[M+K]+ 247.109488 154.4
[M+H-H2O]+ 191.143590 142.7
[M+HCOO]- 253.144531 169.5
[M+CH3COO]- 267.160181 189.1
[M+Na-2H]- 229.120996 153.2
[M]+ 208.14578142 151.8
[M]- 208.14687858 151.8
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