PubChemLite - Bisphenol a diglycidyl ether diacrylate (C27H32O8)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC=C(C=C1)OCC(COC(=O)C=C)O)C2=CC=C(C=C2)OCC(COC(=O)C=C)O

InChI

InChI=1S/C27H32O8/c1-5-25(30)34-17-21(28)15-32-23-11-7-19(8-12-23)27(3,4)20-9-13-24(14-10-20)33-16-22(29)18-35-26(31)6-2/h5-14,21-22,28-29H,1-2,15-18H2,3-4H3

InChIKey

VZTQQYMRXDUHDO-UHFFFAOYSA-N

Compound name

[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]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]+	485.21700	215.7
[M+Na]+	507.19894	216.6
[M-H]-	483.20244	218.0
[M+NH4]+	502.24354	220.6
[M+K]+	523.17288	214.6
[M+H-H2O]+	467.20698	206.6
[M+HCOO]-	529.20792	229.2
[M+CH3COO]-	543.22357	234.2
[M+Na-2H]-	505.18439	212.0
[M]+	484.20917	221.8
[M]-	484.21027	221.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.21700

215.7

[M+Na]+

507.19894

216.6

[M-H]-

483.20244

218.0

[M+NH4]+

502.24354

220.6

[M+K]+

523.17288

214.6

[M+H-H2O]+

467.20698

206.6

[M+HCOO]-

529.20792

229.2

[M+CH3COO]-

543.22357

234.2

[M+Na-2H]-

505.18439

212.0

[M]+

484.20917

221.8

[M]-

484.21027

221.8

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

Bisphenol a diglycidyl ether diacrylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe