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	232.4
[M+Na]+	601.18917	241.7
[M-H]-	577.19267	243.7
[M+NH4]+	596.23377	253.7
[M+K]+	617.16311	239.5
[M+H-H2O]+	561.19721	234.4
[M+HCOO]-	623.19815	240.8
[M+CH3COO]-	637.21380	249.5
[M+Na-2H]-	599.17462	224.3
[M]+	578.19940	239.3
[M]-	578.20050	239.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.20723

232.4

[M+Na]+

601.18917

241.7

[M-H]-

577.19267

243.7

[M+NH4]+

596.23377

253.7

[M+K]+

617.16311

239.5

[M+H-H2O]+

561.19721

234.4

[M+HCOO]-

623.19815

240.8

[M+CH3COO]-

637.21380

249.5

[M+Na-2H]-

599.17462

224.3

[M]+

578.19940

239.3

[M]-

578.20050

239.3

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