CID 110453

Alpha,alpha'-bis(tert-butylperoxy)-1,3,5-triisopropylbenzene

Structural Information

Molecular Formula
C23H40O4
SMILES
CC(C)C1=CC(=CC(=C1)C(C)(C)OOC(C)(C)C)C(C)(C)OOC(C)(C)C
InChI
InChI=1S/C23H40O4/c1-16(2)17-13-18(22(9,10)26-24-20(3,4)5)15-19(14-17)23(11,12)27-25-21(6,7)8/h13-16H,1-12H3
InChIKey
MOMVINJLAGHGBN-UHFFFAOYSA-N
Compound name
1,3-bis(2-tert-butylperoxypropan-2-yl)-5-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.29266 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.299936 193.4
[M+Na]+ 403.281878 197.9
[M-H]- 379.285384 196.6
[M+NH4]+ 398.326483 206.3
[M+K]+ 419.255818 198.1
[M+H-H2O]+ 363.289920 187.9
[M+HCOO]- 425.290861 206.9
[M+CH3COO]- 439.306511 225.2
[M+Na-2H]- 401.267326 196.9
[M]+ 380.29211142 202.3
[M]- 380.29320858 202.3
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