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]+ 293.24751 172.3
[M+Na]+ 315.22945 177.8
[M-H]- 291.23295 175.8
[M+NH4]+ 310.27405 188.8
[M+K]+ 331.20339 176.7
[M+H-H2O]+ 275.23749 166.8
[M+HCOO]- 337.23843 189.0
[M+CH3COO]- 351.25408 209.7
[M+Na-2H]- 313.21490 173.5
[M]+ 292.23968 177.4
[M]- 292.24078 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