CID 110452

Alpha-(tert-butylperoxy)-1,3,5-triisopropylbenzene

Structural Information

Molecular Formula
C19H32O2
SMILES
CC(C)C1=CC(=CC(=C1)C(C)(C)OOC(C)(C)C)C(C)C
InChI
InChI=1S/C19H32O2/c1-13(2)15-10-16(14(3)4)12-17(11-15)19(8,9)21-20-18(5,6)7/h10-14H,1-9H3
InChIKey
BZSAOSGZYSGGOO-UHFFFAOYSA-N
Compound name
1-(2-tert-butylperoxypropan-2-yl)-3,5-di(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.24023 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.247506 172.3
[M+Na]+ 315.229448 177.8
[M-H]- 291.232954 175.8
[M+NH4]+ 310.274053 188.8
[M+K]+ 331.203388 176.7
[M+H-H2O]+ 275.237490 166.8
[M+HCOO]- 337.238431 189.0
[M+CH3COO]- 351.254081 209.7
[M+Na-2H]- 313.214896 173.5
[M]+ 292.23968142 177.4
[M]- 292.24077858 177.4
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