PubChemLite - 2-methyl-1,4-phenylene bis(4-((6-(acryloyloxy)hexyl)oxy)benzoate) (C39H44O10)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCCCCOC(=O)C=C

InChI

InChI=1S/C39H44O10/c1-4-36(40)46-26-12-8-6-10-24-44-32-18-14-30(15-19-32)38(42)48-34-22-23-35(29(3)28-34)49-39(43)31-16-20-33(21-17-31)45-25-11-7-9-13-27-47-37(41)5-2/h4-5,14-23,28H,1-2,6-13,24-27H2,3H3

InChIKey

FQCKIWWAEIOPSD-UHFFFAOYSA-N

Compound name

[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

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]+	673.30074	265.1
[M+Na]+	695.28268	263.5
[M-H]-	671.28618	271.5
[M+NH4]+	690.32728	262.6
[M+K]+	711.25662	261.1
[M+H-H2O]+	655.29072	251.2
[M+HCOO]-	717.29166	280.4
[M+CH3COO]-	731.30731	272.1
[M+Na-2H]-	693.26813	256.5
[M]+	672.29291	277.8
[M]-	672.29401	277.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

673.30074

265.1

[M+Na]+

695.28268

263.5

[M-H]-

671.28618

271.5

[M+NH4]+

690.32728

262.6

[M+K]+

711.25662

261.1

[M+H-H2O]+

655.29072

251.2

[M+HCOO]-

717.29166

280.4

[M+CH3COO]-

731.30731

272.1

[M+Na-2H]-

693.26813

256.5

[M]+

672.29291

277.8

[M]-

672.29401

277.8

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

2-methyl-1,4-phenylene bis(4-((6-(acryloyloxy)hexyl)oxy)benzoate)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe