CID 88311

19931-81-8

Structural Information

Molecular Formula
C27H48O6
SMILES
CC(C)(C)OOC(C)(C)C1=CC(=CC(=C1)C(C)(C)OOC(C)(C)C)C(C)(C)OOC(C)(C)C
InChI
InChI=1S/C27H48O6/c1-22(2,3)28-31-25(10,11)19-16-20(26(12,13)32-29-23(4,5)6)18-21(17-19)27(14,15)33-30-24(7,8)9/h16-18H,1-15H3
InChIKey
WKKRYWQLVOISAU-UHFFFAOYSA-N
Compound name
1,3,5-tris(2-tert-butylperoxypropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

696
Patents

468.3451 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.35238 231.8
[M+Na]+ 491.33432 237.2
[M+NH4]+ 486.37892 240.1
[M+K]+ 507.30826 242.3
[M-H]- 467.33782 229.4
[M+Na-2H]- 489.31977 227.7
[M]+ 468.34455 234.1
[M]- 468.34565 234.1
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