PubChemLite - 2-(2-methylprop-2-enoyloxy)ethyl 3-(2-(2-methylprop-2-enoyloxy)ethoxy)-4-(4-(2-methylprop-2-enoyloxy)phenyl)benzoate (C29H30O9)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCCOC1=C(C=CC(=C1)C(=O)OCCOC(=O)C(=C)C)C2=CC=C(C=C2)OC(=O)C(=C)C

InChI

InChI=1S/C29H30O9/c1-18(2)26(30)35-14-13-34-25-17-22(29(33)37-16-15-36-27(31)19(3)4)9-12-24(25)21-7-10-23(11-8-21)38-28(32)20(5)6/h7-12,17H,1,3,5,13-16H2,2,4,6H3

InChIKey

KTUHDZDTGBRIAE-UHFFFAOYSA-N

Compound name

2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-[4-(2-methylprop-2-enoyloxy)phenyl]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]+	523.19624	219.8
[M+Na]+	545.17818	221.4
[M-H]-	521.18168	224.9
[M+NH4]+	540.22278	224.3
[M+K]+	561.15212	220.8
[M+H-H2O]+	505.18622	210.3
[M+HCOO]-	567.18716	235.1
[M+CH3COO]-	581.20281	246.7
[M+Na-2H]-	543.16363	211.4
[M]+	522.18841	228.6
[M]-	522.18951	228.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.19624

219.8

[M+Na]+

545.17818

221.4

[M-H]-

521.18168

224.9

[M+NH4]+

540.22278

224.3

[M+K]+

561.15212

220.8

[M+H-H2O]+

505.18622

210.3

[M+HCOO]-

567.18716

235.1

[M+CH3COO]-

581.20281

246.7

[M+Na-2H]-

543.16363

211.4

[M]+

522.18841

228.6

[M]-

522.18951

228.6

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

2-(2-methylprop-2-enoyloxy)ethyl 3-(2-(2-methylprop-2-enoyloxy)ethoxy)-4-(4-(2-methylprop-2-enoyloxy)phenyl)benzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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