PubChemLite - Schembl1087533 (C40H58O19)

Structural Information

Molecular Formula

SMILES

C=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C

InChI

InChI=1S/C40H58O19/c1-7-33(41)54-19-13-47-25-39(26-48-14-20-55-34(42)8-2,27-49-15-21-56-35(43)9-3)31-53-32-40(28-50-16-22-57-36(44)10-4,29-51-17-23-58-37(45)11-5)30-52-18-24-59-38(46)12-6/h7-12H,1-6,13-32H2

InChIKey

HNKYJYDOEZFFAU-UHFFFAOYSA-N

Compound name

2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate

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]+	843.36452	308.0
[M+Na]+	865.34646	311.7
[M-H]-	841.34996	317.8
[M+NH4]+	860.39106	332.6
[M+K]+	881.32040	313.5
[M+H-H2O]+	825.35450	308.8
[M+HCOO]-	887.35544	309.5
[M+CH3COO]-	901.37109	291.1
[M+Na-2H]-	863.33191	291.1
[M]+	842.35669	321.9
[M]-	842.35779	321.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

843.36452

308.0

[M+Na]+

865.34646

311.7

[M-H]-

841.34996

317.8

[M+NH4]+

860.39106

332.6

[M+K]+

881.32040

313.5

[M+H-H2O]+

825.35450

308.8

[M+HCOO]-

887.35544

309.5

[M+CH3COO]-

901.37109

291.1

[M+Na-2H]-

863.33191

291.1

[M]+

842.35669

321.9

[M]-

842.35779

321.9

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

Schembl1087533

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe