PubChemLite - Dipentaerythritol pentaacrylate (C25H32O12)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H32O12/c1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h6-10,26H,1-5,11-18H2

InChIKey

INXWLSDYDXPENO-UHFFFAOYSA-N

Compound name

[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]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]+	525.19668	216.6
[M+Na]+	547.17862	224.3
[M-H]-	523.18212	225.0
[M+NH4]+	542.22322	232.8
[M+K]+	563.15256	221.4
[M+H-H2O]+	507.18666	217.0
[M+HCOO]-	569.18760	225.7
[M+CH3COO]-	583.20325	238.4
[M+Na-2H]-	545.16407	208.3
[M]+	524.18885	221.4
[M]-	524.18995	221.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.19668

216.6

[M+Na]+

547.17862

224.3

[M-H]-

523.18212

225.0

[M+NH4]+

542.22322

232.8

[M+K]+

563.15256

221.4

[M+H-H2O]+

507.18666

217.0

[M+HCOO]-

569.18760

225.7

[M+CH3COO]-

583.20325

238.4

[M+Na-2H]-

545.16407

208.3

[M]+

524.18885

221.4

[M]-

524.18995

221.4

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

Dipentaerythritol pentaacrylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe