CID 3035270

M-diisopropylbenzene dihydroperoxide

Structural Information

Molecular Formula
C12H18O4
SMILES
CC(C)(C1=CC(=CC=C1)C(C)(C)OO)OO
InChI
InChI=1S/C12H18O4/c1-11(2,15-13)9-6-5-7-10(8-9)12(3,4)16-14/h5-8,13-14H,1-4H3
InChIKey
IROSBXFYXRIPRU-UHFFFAOYSA-N
Compound name
1,3-bis(2-hydroperoxypropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
Patents

226.12051 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12779 150.4
[M+Na]+ 249.10973 160.5
[M+NH4]+ 244.15433 156.7
[M+K]+ 265.08367 157.2
[M-H]- 225.11323 149.4
[M+Na-2H]- 247.09518 155.1
[M]+ 226.11996 151.5
[M]- 226.12106 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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