Einecs 280-184-9 (C28H38O13)

Structural Information

Molecular Formula

SMILES

CCC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)CC)COC(=O)C=C

InChI

InChI=1S/C28H38O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-10H,1-4,11-20H2,5-6H3

InChIKey

MIDGZIQKROAOKE-UHFFFAOYSA-N

Compound name

[2-(propanoyloxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] propanoate

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]+	583.238536	235.4
[M+Na]+	605.220478	243.6
[M-H]-	581.223984	245.2
[M+NH4]+	600.265083	256.0
[M+K]+	621.194418	242.2
[M+H-H2O]+	565.228520	237.2
[M+HCOO]-	627.229461	242.3
[M+CH3COO]-	641.245111	250.9
[M+Na-2H]-	603.205926	226.4
[M]+	582.23071142	242.5
[M]-	582.23180858	242.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.238536

235.4

[M+Na]+

605.220478

243.6

[M-H]-

581.223984

245.2

[M+NH4]+

600.265083

256.0

[M+K]+

621.194418

242.2

[M+H-H2O]+

565.228520

237.2

[M+HCOO]-

627.229461

242.3

[M+CH3COO]-

641.245111

250.9

[M+Na-2H]-

603.205926

226.4

[M]+

582.23071142

242.5

[M]-

582.23180858

242.5

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

Einecs 280-184-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe