PubChemLite - Kayarad d 310 (C28H36O13)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C28H36O13/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/h7-11H,1-5,12-20H2,6H3

InChIKey

HIVQCJOGAHNXBO-UHFFFAOYSA-N

Compound name

[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)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]+	581.22288	233.8
[M+Na]+	603.20482	242.6
[M-H]-	579.20832	244.4
[M+NH4]+	598.24942	254.8
[M+K]+	619.17876	240.8
[M+H-H2O]+	563.21286	235.8
[M+HCOO]-	625.21380	241.5
[M+CH3COO]-	639.22945	250.2
[M+Na-2H]-	601.19027	225.3
[M]+	580.21505	240.8
[M]-	580.21615	240.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.22288

233.8

[M+Na]+

603.20482

242.6

[M-H]-

579.20832

244.4

[M+NH4]+

598.24942

254.8

[M+K]+

619.17876

240.8

[M+H-H2O]+

563.21286

235.8

[M+HCOO]-

625.21380

241.5

[M+CH3COO]-

639.22945

250.2

[M+Na-2H]-

601.19027

225.3

[M]+

580.21505

240.8

[M]-

580.21615

240.8

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

Kayarad d 310

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe