PubChemLite - 2-methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate) (C37H36O14)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C37H36O14/c1-4-32(38)44-20-6-8-22-46-36(42)49-28-14-10-26(11-15-28)34(40)48-30-18-19-31(25(3)24-30)51-35(41)27-12-16-29(17-13-27)50-37(43)47-23-9-7-21-45-33(39)5-2/h4-5,10-19,24H,1-2,6-9,20-23H2,3H3

InChIKey

ZKBUNGNDTCOGEU-UHFFFAOYSA-N

Compound name

[3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)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]+	705.21778	257.9
[M+Na]+	727.19972	255.9
[M-H]-	703.20322	238.8
[M+NH4]+	722.24432	251.5
[M+K]+	743.17366	258.4
[M+H-H2O]+	687.20776	244.5
[M+HCOO]-	749.20870	250.7
[M+CH3COO]-	763.22435	273.1
[M+Na-2H]-	725.18517	250.3
[M]+	704.20995	236.0
[M]-	704.21105	236.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

705.21778

257.9

[M+Na]+

727.19972

255.9

[M-H]-

703.20322

238.8

[M+NH4]+

722.24432

251.5

[M+K]+

743.17366

258.4

[M+H-H2O]+

687.20776

244.5

[M+HCOO]-

749.20870

250.7

[M+CH3COO]-

763.22435

273.1

[M+Na-2H]-

725.18517

250.3

[M]+

704.20995

236.0

[M]-

704.21105

236.0

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-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe