CID 85497

Nonanediperoxoic acid, bis(1,1-dimethylethyl) ester

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 182.3
[M+Na]+ 355.20910 186.0
[M-H]- 331.21260 181.5
[M+NH4]+ 350.25370 190.9
[M+K]+ 371.18304 186.8
[M+H-H2O]+ 315.21714 176.8
[M+HCOO]- 377.21808 199.4
[M+CH3COO]- 391.23373 210.0
[M+Na-2H]- 353.19455 183.8
[M]+ 332.21933 192.7
[M]- 332.22043 192.7
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