62480-03-9 (C60H112O8Sn)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC

InChI

InChI=1S/2C22H40O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-5-7-8-6-4-2;/h2*18-19H,2-17,20H2,1H3,(H,23,24);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*19-18-;;;

InChIKey

CHOXPWSDXIXQDY-YPKQJYFLSA-L

Compound name

4-O-[[(Z)-4-octadecoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-octadecyl (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]+	1081.745176	350.3
[M+Na]+	1103.727118	353.4
[M-H]-	1079.730624	336.7
[M+NH4]+	1098.771723	361.8
[M+K]+	1119.701058	365.0
[M+H-H2O]+	1063.735160	348.6
[M+HCOO]-	1125.736101	346.1
[M+CH3COO]-	1139.751751	331.7
[M+Na-2H]-	1101.712566	325.5
[M]+	1080.73735142	352.9
[M]-	1080.73844858	352.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1081.745176

350.3

[M+Na]+

1103.727118

353.4

[M-H]-

1079.730624

336.7

[M+NH4]+

1098.771723

361.8

[M+K]+

1119.701058

365.0

[M+H-H2O]+

1063.735160

348.6

[M+HCOO]-

1125.736101

346.1

[M+CH3COO]-

1139.751751

331.7

[M+Na-2H]-

1101.712566

325.5

[M]+

1080.73735142

352.9

[M]-

1080.73844858

352.9

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

62480-03-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe