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

1343
Patents

248.19876 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.20604 161.0
[M+Na]+ 271.18798 166.6
[M-H]- 247.19148 161.0
[M+NH4]+ 266.23258 178.9
[M+K]+ 287.16192 167.9
[M+H-H2O]+ 231.19602 156.8
[M+HCOO]- 293.19696 178.9
[M+CH3COO]- 307.21261 197.7
[M+Na-2H]- 269.17343 167.5
[M]+ 248.19821 169.4
[M]- 248.19931 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