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
4
Annotation Hits

3
References

81422
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 172.9
[M+Na]+ 313.23492 177.8
[M-H]- 289.23842 172.8
[M+NH4]+ 308.27952 189.3
[M+K]+ 329.20886 179.0
[M+H-H2O]+ 273.24296 169.0
[M+HCOO]- 335.24390 188.3
[M+CH3COO]- 349.25955 206.0
[M+Na-2H]- 311.22037 179.3
[M]+ 290.24515 181.7
[M]- 290.24625 181.7
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