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: 554
Patents: 314.2457 Da
Monoisotopic Mass: 7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.25298	181.7
[M+Na]+	337.23492	188.4
[M+NH4]+	332.27952	186.0
[M+K]+	353.20886	182.2
[M-H]-	313.23842	178.8
[M+Na-2H]-	335.22037	180.9
[M]+	314.24515	181.3
[M]-	314.24625	181.3

Literature stripe

literature stripe

Patent stripe

patents stripe