CID 83636

2,2-di(tert-amylperoxy)butane

Structural Information

Molecular Formula
C14H30O4
SMILES
CCC(C)(C)OOC(C)(CC)OOC(C)(C)CC
InChI
InChI=1S/C14H30O4/c1-9-12(4,5)15-17-14(8,11-3)18-16-13(6,7)10-2/h9-11H2,1-8H3
InChIKey
IVOIHMSMNONJSR-UHFFFAOYSA-N
Compound name
2-methyl-2-[2-(2-methylbutan-2-ylperoxy)butan-2-ylperoxy]butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

312
Patents

262.21442 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.22170 165.7
[M+Na]+ 285.20364 170.8
[M-H]- 261.20714 165.5
[M+NH4]+ 280.24824 183.0
[M+K]+ 301.17758 171.9
[M+H-H2O]+ 245.21168 161.3
[M+HCOO]- 307.21262 183.2
[M+CH3COO]- 321.22827 200.7
[M+Na-2H]- 283.18909 171.7
[M]+ 262.21387 174.5
[M]- 262.21497 174.5
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