PubChemLite - Bis(2-(2-methylprop-2-enoyloxy)ethyl) 4-(4-(2-methylprop-2-enoyloxy)phenyl)benzene-1,3-dicarboxylate (C30H30O10)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCCOC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)OC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C

InChI

InChI=1S/C30H30O10/c1-18(2)26(31)36-13-15-38-29(34)22-9-12-24(21-7-10-23(11-8-21)40-28(33)20(5)6)25(17-22)30(35)39-16-14-37-27(32)19(3)4/h7-12,17H,1,3,5,13-16H2,2,4,6H3

InChIKey

KQOUWHTWIXIAKB-UHFFFAOYSA-N

Compound name

bis[2-(2-methylprop-2-enoyloxy)ethyl] 4-[4-(2-methylprop-2-enoyloxy)phenyl]benzene-1,3-dicarboxylate

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]+	551.19118	223.2
[M+Na]+	573.17312	224.2
[M-H]-	549.17662	228.2
[M+NH4]+	568.21772	226.7
[M+K]+	589.14706	224.5
[M+H-H2O]+	533.18116	213.8
[M+HCOO]-	595.18210	218.5
[M+CH3COO]-	609.19775	251.3
[M+Na-2H]-	571.15857	213.9
[M]+	550.18335	232.5
[M]-	550.18445	232.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

551.19118

223.2

[M+Na]+

573.17312

224.2

[M-H]-

549.17662

228.2

[M+NH4]+

568.21772

226.7

[M+K]+

589.14706

224.5

[M+H-H2O]+

533.18116

213.8

[M+HCOO]-

595.18210

218.5

[M+CH3COO]-

609.19775

251.3

[M+Na-2H]-

571.15857

213.9

[M]+

550.18335

232.5

[M]-

550.18445

232.5

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

Bis(2-(2-methylprop-2-enoyloxy)ethyl) 4-(4-(2-methylprop-2-enoyloxy)phenyl)benzene-1,3-dicarboxylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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