PubChemLite - 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-ethyl-4-(4-(2-methylprop-2-enoyloxy)phenyl)phenyl)-3-(2-(2-methylprop-2-enoyloxy)ethoxy)benzoate (C37H38O9)

Structural Information

Molecular Formula

SMILES

CCC1=C(C=CC(=C1)C2=CC=C(C=C2)OC(=O)C(=C)C)C3=C(C=C(C=C3)C(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C

InChI

InChI=1S/C37H38O9/c1-8-26-21-28(27-9-13-30(14-10-27)46-36(40)25(6)7)11-15-31(26)32-16-12-29(37(41)45-20-19-44-35(39)24(4)5)22-33(32)42-17-18-43-34(38)23(2)3/h9-16,21-22H,2,4,6,8,17-20H2,1,3,5,7H3

InChIKey

OOQVTCUVIBPUJC-UHFFFAOYSA-N

Compound name

2-(2-methylprop-2-enoyloxy)ethyl 4-[2-ethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]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]+	627.25888	248.3
[M+Na]+	649.24082	248.5
[M-H]-	625.24432	256.0
[M+NH4]+	644.28542	248.1
[M+K]+	665.21476	247.2
[M+H-H2O]+	609.24886	236.7
[M+HCOO]-	671.24980	261.7
[M+CH3COO]-	685.26545	268.2
[M+Na-2H]-	647.22627	237.2
[M]+	626.25105	257.5
[M]-	626.25215	257.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

627.25888

248.3

[M+Na]+

649.24082

248.5

[M-H]-

625.24432

256.0

[M+NH4]+

644.28542

248.1

[M+K]+

665.21476

247.2

[M+H-H2O]+

609.24886

236.7

[M+HCOO]-

671.24980

261.7

[M+CH3COO]-

685.26545

268.2

[M+Na-2H]-

647.22627

237.2

[M]+

626.25105

257.5

[M]-

626.25215

257.5

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe