CID 6545

78-63-7

Structural Information

Molecular Formula
C16H34O4
SMILES
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
InChI
InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3
InChIKey
DMWVYCCGCQPJEA-UHFFFAOYSA-N
Compound name
2,5-bis(tert-butylperoxy)-2,5-dimethylhexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

78723
Patents

290.2457 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.25298 172.7
[M+Na]+ 313.23492 179.1
[M+NH4]+ 308.27952 177.2
[M+K]+ 329.20886 177.1
[M-H]- 289.23842 168.4
[M+Na-2H]- 311.22037 173.4
[M]+ 290.24515 172.4
[M]- 290.24625 172.4
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