CID 85497

Ditert-butyl nonanediperoxoate

Structural Information

Molecular Formula
C17H32O6
SMILES
CC(C)(C)OOC(=O)CCCCCCCC(=O)OOC(C)(C)C
InChI
InChI=1S/C17H32O6/c1-16(2,3)22-20-14(18)12-10-8-7-9-11-13-15(19)21-23-17(4,5)6/h7-13H2,1-6H3
InChIKey
VMRTVQZUEDMYNS-UHFFFAOYSA-N
Compound name
ditert-butyl nonanediperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

685
Patents

332.21988 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.22716 180.2
[M+Na]+ 355.20910 185.5
[M+NH4]+ 350.25370 189.4
[M+K]+ 371.18304 183.4
[M-H]- 331.21260 175.0
[M+Na-2H]- 353.19455 178.9
[M]+ 332.21933 179.1
[M]- 332.22043 179.1
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