PubChemLite - Dipentaerythritol hexaacrylate (C28H34O13)

Structural Information

Molecular Formula

SMILES

C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C

InChI

InChI=1S/C28H34O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-12H,1-6,13-20H2

InChIKey

MPIAGWXWVAHQBB-UHFFFAOYSA-N

Compound name

[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 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]+	579.20723	224.4
[M+Na]+	601.18917	227.6
[M+NH4]+	596.23377	234.3
[M+K]+	617.16311	226.9
[M-H]-	577.19267	228.1
[M+Na-2H]-	599.17462	231.9
[M]+	578.19940	227.3
[M]-	578.20050	227.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.20723

224.4

[M+Na]+

601.18917

227.6

[M+NH4]+

596.23377

234.3

[M+K]+

617.16311

226.9

[M-H]-

577.19267

228.1

[M+Na-2H]-

599.17462

231.9

[M]+

578.19940

227.3

[M]-

578.20050

227.3

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

Dipentaerythritol hexaacrylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe