CID 13815946

2,2-bis(tert-amylperoxy)propane

Structural Information

Molecular Formula
C13H28O4
SMILES
CCC(C)(C)OOC(C)(C)OOC(C)(C)CC
InChI
InChI=1S/C13H28O4/c1-9-11(3,4)14-16-13(7,8)17-15-12(5,6)10-2/h9-10H2,1-8H3
InChIKey
PHIGUQOUWMSXFV-UHFFFAOYSA-N
Compound name
2-methyl-2-[2-(2-methylbutan-2-ylperoxy)propan-2-ylperoxy]butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1317
Patents

248.19876 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.206036 161.0
[M+Na]+ 271.187978 166.6
[M-H]- 247.191484 161.0
[M+NH4]+ 266.232583 178.9
[M+K]+ 287.161918 167.9
[M+H-H2O]+ 231.196020 156.8
[M+HCOO]- 293.196961 178.9
[M+CH3COO]- 307.212611 197.7
[M+Na-2H]- 269.173426 167.5
[M]+ 248.19821142 169.4
[M]- 248.19930858 169.4
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