PubChemLite - 2-propenoic acid, 2-methyl-, 1,1'-((1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyloxy-2,1-ethanediyloxy-2,1-ethanediyl)) ester (C35H48O10)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCCOCCOCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOCCOCCOC(=O)C(=C)C

InChI

InChI=1S/C35H48O10/c1-27(2)33(36)44-25-21-40-17-15-38-19-23-42-31-11-7-29(8-12-31)35(5,6)30-9-13-32(14-10-30)43-24-20-39-16-18-41-22-26-45-34(37)28(3)4/h7-14H,1,3,15-26H2,2,4-6H3

InChIKey

MUEIBZIYMWAANR-UHFFFAOYSA-N

Compound name

2-[2-[2-[4-[2-[4-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethyl 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]+	629.33205	254.6
[M+Na]+	651.31399	232.3
[M-H]-	627.31749	221.8
[M+NH4]+	646.35859	235.8
[M+K]+	667.28793	251.9
[M+H-H2O]+	611.32203	242.9
[M+HCOO]-	673.32297	238.9
[M+CH3COO]-	687.33862	264.7
[M+Na-2H]-	649.29944	248.6
[M]+	628.32422	227.1
[M]-	628.32532	227.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

629.33205

254.6

[M+Na]+

651.31399

232.3

[M-H]-

627.31749

221.8

[M+NH4]+

646.35859

235.8

[M+K]+

667.28793

251.9

[M+H-H2O]+

611.32203

242.9

[M+HCOO]-

673.32297

238.9

[M+CH3COO]-

687.33862

264.7

[M+Na-2H]-

649.29944

248.6

[M]+

628.32422

227.1

[M]-

628.32532

227.1

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-, 1,1'-((1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyloxy-2,1-ethanediyloxy-2,1-ethanediyl)) ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe