CID 110453

68527-48-0

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 195.5
[M+Na]+ 403.28188 203.7
[M+NH4]+ 398.32648 200.1
[M+K]+ 419.25582 201.0
[M-H]- 379.28538 193.8
[M+Na-2H]- 401.26733 198.2
[M]+ 380.29211 196.4
[M]- 380.29321 196.4
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