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

0
Patents

380.29266 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29994 193.4
[M+Na]+ 403.28188 197.9
[M-H]- 379.28538 196.6
[M+NH4]+ 398.32648 206.3
[M+K]+ 419.25582 198.1
[M+H-H2O]+ 363.28992 187.9
[M+HCOO]- 425.29086 206.9
[M+CH3COO]- 439.30651 225.2
[M+Na-2H]- 401.26733 196.9
[M]+ 380.29211 202.3
[M]- 380.29321 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