CID 56935857

11-hpome(9z)

Structural Information

Molecular Formula

C₁₈H₃₄O₄

SMILES

CCCCCCCC(/C=C\CCCCCCCC(=O)O)OO

InChI

InChI=1S/C18H34O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12-

InChIKey

WWEFPLFGKQOHPE-QINSGFPZSA-N

Compound name

(Z)-11-hydroperoxyoctadec-9-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.2457 Da
Monoisotopic Mass: 5.8
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]+	315.252976	184.3
[M+Na]+	337.234918	185.7
[M-H]-	313.238424	179.6
[M+NH4]+	332.279523	197.4
[M+K]+	353.208858	182.3
[M+H-H2O]+	297.242960	177.7
[M+HCOO]-	359.243901	200.5
[M+CH3COO]-	373.259551	205.1
[M+Na-2H]-	335.220366	181.5
[M]+	314.24515142	189.3
[M]-	314.24624858	189.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.