PubChemLite - Sn 25 (stabilizer) (C32H56O8Sn)

Structural Information

Molecular Formula

SMILES

CCCCC(COC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCC(CCCC)CC)(CCCC)CCCC)CC

InChI

InChI=1S/2C12H20O4.2C4H9.Sn/c2*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;2*1-3-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*8-7-;;;

InChIKey

NBZNVCBJBGDRJI-KKUWAICFSA-L

Compound name

4-O-[dibutyl-[(Z)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(2-ethylhexyl) (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]+	689.30702	263.4
[M+Na]+	711.28896	272.1
[M-H]-	687.29246	263.2
[M+NH4]+	706.33356	278.3
[M+K]+	727.26290	273.4
[M+H-H2O]+	671.29700	265.4
[M+HCOO]-	733.29794	265.0
[M+CH3COO]-	747.31359	261.5
[M+Na-2H]-	709.27441	250.4
[M]+	688.29919	263.9
[M]-	688.30029	263.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

689.30702

263.4

[M+Na]+

711.28896

272.1

[M-H]-

687.29246

263.2

[M+NH4]+

706.33356

278.3

[M+K]+

727.26290

273.4

[M+H-H2O]+

671.29700

265.4

[M+HCOO]-

733.29794

265.0

[M+CH3COO]-

747.31359

261.5

[M+Na-2H]-

709.27441

250.4

[M]+

688.29919

263.9

[M]-

688.30029

263.9

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

Sn 25 (stabilizer)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe