CID 17721

Peroximon f 40

Structural Information

Molecular Formula
C20H34O4
SMILES
CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C
InChI
InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3
InChIKey
GWQOYRSARAWVTC-UHFFFAOYSA-N
Compound name
1,4-bis(2-tert-butylperoxypropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5003
Patents

338.2457 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.252976 183.0
[M+Na]+ 361.234918 188.2
[M-H]- 337.238424 186.4
[M+NH4]+ 356.279523 197.4
[M+K]+ 377.208858 188.3
[M+H-H2O]+ 321.242960 177.6
[M+HCOO]- 383.243901 198.5
[M+CH3COO]- 397.259551 214.4
[M+Na-2H]- 359.220366 189.5
[M]+ 338.24515142 191.1
[M]- 338.24624858 191.1
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

patents stripe