PubChemLite - Dibutylbis(octadeca-9(z),12(z)-dienoyloxy)stannane (C44H80O4Sn)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[Sn](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(CCCC)CCCC

InChI

InChI=1S/2C18H32O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*7-6-,10-9-;;;

InChIKey

PWHAJUKSOHXUMK-ZHEBOFABSA-L

Compound name

[dibutyl-[(9Z,12Z)-octadeca-9,12-dienoyl]oxystannyl] (9Z,12Z)-octadeca-9,12-dienoate

Related CIDs

2D Structure

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]+	793.51518	295.0
[M+Na]+	815.49712	301.6
[M-H]-	791.50062	281.5
[M+NH4]+	810.54172	300.1
[M+K]+	831.47106	306.1
[M+H-H2O]+	775.50516	292.7
[M+HCOO]-	837.50610	301.5
[M+CH3COO]-	851.52175	285.1
[M+Na-2H]-	813.48257	275.8
[M]+	792.50735	293.4
[M]-	792.50845	293.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

793.51518

295.0

[M+Na]+

815.49712

301.6

[M-H]-

791.50062

281.5

[M+NH4]+

810.54172

300.1

[M+K]+

831.47106

306.1

[M+H-H2O]+

775.50516

292.7

[M+HCOO]-

837.50610

301.5

[M+CH3COO]-

851.52175

285.1

[M+Na-2H]-

813.48257

275.8

[M]+

792.50735

293.4

[M]-

792.50845

293.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dibutylbis(octadeca-9(z),12(z)-dienoyloxy)stannane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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