PubChemLite - 84029-76-5 (C60H112O8Sn)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC

InChI

InChI=1S/2C18H32O4.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-12H2,2H3;/q;;;;+2/p-2/b2*15-14-;;;

InChIKey

LYJOPYRQEYEMMH-POUCYOBESA-L

Compound name

4-O-[didodecyl-[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxystannyl] 1-O-tetradecyl (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]+	1081.7452	350.3
[M+Na]+	1103.7271	353.4
[M-H]-	1079.7306	336.7
[M+NH4]+	1098.7717	361.8
[M+K]+	1119.7011	365.0
[M+H-H2O]+	1063.7352	348.6
[M+HCOO]-	1125.7361	346.1
[M+CH3COO]-	1139.7518	331.7
[M+Na-2H]-	1101.7126	325.5
[M]+	1080.7374	352.9
[M]-	1080.7384	352.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1081.7452

350.3

[M+Na]+

1103.7271

353.4

[M-H]-

1079.7306

336.7

[M+NH4]+

1098.7717

361.8

[M+K]+

1119.7011

365.0

[M+H-H2O]+

1063.7352

348.6

[M+HCOO]-

1125.7361

346.1

[M+CH3COO]-

1139.7518

331.7

[M+Na-2H]-

1101.7126

325.5

[M]+

1080.7374

352.9

[M]-

1080.7384

352.9

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

84029-76-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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