PubChemLite - Methyltin tris(monoisooctyl maleate) (C37H60O12Sn)

Structural Information

Molecular Formula

SMILES

CC(CCCCCOC(=O)/C=C/C(=O)O[Sn](OC(=O)/C=C/C(=O)OCCCCCC(C)C)(OC(=O)/C=C/C(=O)OCCCCCC(C)C)C)C

InChI

InChI=1S/3C12H20O4.CH3.Sn/c3*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;;/h3*7-8,10H,3-6,9H2,1-2H3,(H,13,14);1H3;/q;;;;+3/p-3/b3*8-7+;;

InChIKey

FAUYFKVDTXSHKO-YCLPLZAJSA-K

Compound name

4-O-[methyl-bis[[(E)-4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxy]stannyl] 1-O-(6-methylheptyl) (E)-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]+	817.31795	289.7
[M+Na]+	839.29989	298.4
[M-H]-	815.30339	296.7
[M+NH4]+	834.34449	312.9
[M+K]+	855.27383	301.7
[M+H-H2O]+	799.30793	293.3
[M+HCOO]-	861.30887	283.9
[M+CH3COO]-	875.32452	280.0
[M+Na-2H]-	837.28534	276.1
[M]+	816.31012	293.0
[M]-	816.31122	293.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

817.31795

289.7

[M+Na]+

839.29989

298.4

[M-H]-

815.30339

296.7

[M+NH4]+

834.34449

312.9

[M+K]+

855.27383

301.7

[M+H-H2O]+

799.30793

293.3

[M+HCOO]-

861.30887

283.9

[M+CH3COO]-

875.32452

280.0

[M+Na-2H]-

837.28534

276.1

[M]+

816.31012

293.0

[M]-

816.31122

293.0

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

Methyltin tris(monoisooctyl maleate)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe