19706-58-2 (C48H88O8Sn)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCCCC)(CCCC)CCCC

InChI

InChI=1S/2C20H36O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;2*1-3-4-2;/h2*16-17H,2-15,18H2,1H3,(H,21,22);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*17-16-;;;

InChIKey

WKBGYBQIHPLBDZ-UWBIUZGUSA-L

Compound name

4-O-[dibutyl-[(Z)-4-hexadecoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-hexadecyl (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]+	913.557376	315.9
[M+Na]+	935.539318	320.8
[M-H]-	911.542824	306.7
[M+NH4]+	930.583923	327.3
[M+K]+	951.513258	327.6
[M+H-H2O]+	895.547360	315.1
[M+HCOO]-	957.548301	315.9
[M+CH3COO]-	971.563951	302.6
[M+Na-2H]-	933.524766	295.1
[M]+	912.54955142	316.7
[M]-	912.55064858	316.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

913.557376

315.9

[M+Na]+

935.539318

320.8

[M-H]-

911.542824

306.7

[M+NH4]+

930.583923

327.3

[M+K]+

951.513258

327.6

[M+H-H2O]+

895.547360

315.1

[M+HCOO]-

957.548301

315.9

[M+CH3COO]-

971.563951

302.6

[M+Na-2H]-

933.524766

295.1

[M]+

912.54955142

316.7

[M]-

912.55064858

316.7

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

19706-58-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe