CID 78848

2,5-dimethyl-2,5-di(tert-amylperoxy)hexane

Structural Information

Molecular Formula
C18H38O4
SMILES
CCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)CC
InChI
InChI=1S/C18H38O4/c1-11-15(3,4)19-21-17(7,8)13-14-18(9,10)22-20-16(5,6)12-2/h11-14H2,1-10H3
InChIKey
TUAPLLGBMYGPST-UHFFFAOYSA-N
Compound name
2,5-dimethyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1136
Patents

318.277 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.28428 181.8
[M+Na]+ 341.26622 185.7
[M-H]- 317.26972 181.2
[M+NH4]+ 336.31082 185.2
[M+K]+ 357.24016 186.4
[M+H-H2O]+ 301.27426 177.4
[M+HCOO]- 363.27520 200.2
[M+CH3COO]- 377.29085 213.2
[M+Na-2H]- 339.25167 187.2
[M]+ 318.27645 191.5
[M]- 318.27755 191.5
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