PubChemLite - 2-propenoic acid, 2-methyl-, methylenebis(2,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)) ester (C27H32O8)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCC(COC1=CC=CC=C1CC2=CC=CC=C2OCC(COC(=O)C(=C)C)O)O

InChI

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

InChIKey

JHOFXHJVMQJPRB-UHFFFAOYSA-N

Compound name

[2-hydroxy-3-[2-[[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]methyl]phenoxy]propyl] 2-methylprop-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	216.1
[M+Na]+	507.19894	216.2
[M-H]-	483.20244	218.2
[M+NH4]+	502.24354	220.7
[M+K]+	523.17288	214.7
[M+H-H2O]+	467.20698	206.7
[M+HCOO]-	529.20792	229.3
[M+CH3COO]-	543.22357	235.7
[M+Na-2H]-	505.18439	208.8
[M]+	484.20917	221.5
[M]-	484.21027	221.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.21700

216.1

[M+Na]+

507.19894

216.2

[M-H]-

483.20244

218.2

[M+NH4]+

502.24354

220.7

[M+K]+

523.17288

214.7

[M+H-H2O]+

467.20698

206.7

[M+HCOO]-

529.20792

229.3

[M+CH3COO]-

543.22357

235.7

[M+Na-2H]-

505.18439

208.8

[M]+

484.20917

221.5

[M]-

484.21027

221.5

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

2-propenoic acid, 2-methyl-, methylenebis(2,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)) ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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