CID 12978

Peroxide, bis(1-oxononyl)

Structural Information

Molecular Formula
C18H34O4
SMILES
CCCCCCCCC(=O)OOC(=O)CCCCCCCC
InChI
InChI=1S/C18H34O4/c1-3-5-7-9-11-13-15-17(19)21-22-18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
FEZFGASTIQVZSC-UHFFFAOYSA-N
Compound name
nonanoyl nonaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

572
Patents

314.2457 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25298 184.0
[M+Na]+ 337.23492 186.6
[M-H]- 313.23842 182.3
[M+NH4]+ 332.27952 198.8
[M+K]+ 353.20886 184.9
[M+H-H2O]+ 297.24296 177.1
[M+HCOO]- 359.24390 203.3
[M+CH3COO]- 373.25955 208.9
[M+Na-2H]- 335.22037 182.3
[M]+ 314.24515 192.8
[M]- 314.24625 192.8
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