PubChemLite - 33466-31-8 (C40H72O8Sn)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCC)(CCCC)CCCC

InChI

InChI=1S/2C16H28O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;2*1-3-4-2;/h2*12-13H,2-11,14H2,1H3,(H,17,18);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*13-12-;;;

InChIKey

IPEIQLRNAOQYPJ-NUJFUEHTSA-L

Compound name

4-O-[dibutyl-[(Z)-4-dodecoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-dodecyl (Z)-but-2-enedioate

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]+	801.43218	291.0
[M+Na]+	823.41412	297.2
[M-H]-	799.41762	284.7
[M+NH4]+	818.45872	302.5
[M+K]+	839.38806	300.8
[M+H-H2O]+	783.42216	291.0
[M+HCOO]-	845.42310	294.1
[M+CH3COO]-	859.43875	281.8
[M+Na-2H]-	821.39957	273.3
[M]+	800.42435	291.1
[M]-	800.42545	291.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

801.43218

291.0

[M+Na]+

823.41412

297.2

[M-H]-

799.41762

284.7

[M+NH4]+

818.45872

302.5

[M+K]+

839.38806

300.8

[M+H-H2O]+

783.42216

291.0

[M+HCOO]-

845.42310

294.1

[M+CH3COO]-

859.43875

281.8

[M+Na-2H]-

821.39957

273.3

[M]+

800.42435

291.1

[M]-

800.42545

291.1

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

33466-31-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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