CID 110484

Dtxsid0071627

Structural Information

Molecular Formula
C22H30O2
SMILES
CC1=C(C=C(C=C1)C(C)(C)OOC(C)(C)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C22H30O2/c1-16(2)20-15-19(14-13-17(20)3)22(6,7)24-23-21(4,5)18-11-9-8-10-12-18/h8-16H,1-7H3
InChIKey
SVGYJYJUDXTBFT-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.22458 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.23186 182.4
[M+Na]+ 349.21380 195.6
[M+NH4]+ 344.25840 190.1
[M+K]+ 365.18774 188.7
[M-H]- 325.21730 186.0
[M+Na-2H]- 347.19925 190.4
[M]+ 326.22403 185.7
[M]- 326.22513 185.7
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

No patent data available for this compound.