CID 25320

Di-tert-amyl peroxide

Structural Information

Molecular Formula
C10H22O2
SMILES
CCC(C)(C)OOC(C)(C)CC
InChI
InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3
InChIKey
JJRDRFZYKKFYMO-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-methylbutan-2-ylperoxy)butane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

18510
Patents

174.16199 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.16927 142.4
[M+Na]+ 197.15121 149.0
[M-H]- 173.15471 142.7
[M+NH4]+ 192.19581 163.3
[M+K]+ 213.12515 149.5
[M+H-H2O]+ 157.15925 138.6
[M+HCOO]- 219.16019 162.4
[M+CH3COO]- 233.17584 184.2
[M+Na-2H]- 195.13666 149.0
[M]+ 174.16144 147.3
[M]- 174.16254 147.3
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