PubChemLite - 2,3,4,6-tetra-o-benzyl-d-glucopyranose (C34H36O6)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)COCC2C(C(C(C(O2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2

InChIKey

OGOMAWHSXRDAKZ-UHFFFAOYSA-N

Compound name

3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

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]+	541.25844	234.2
[M+Na]+	563.24038	234.5
[M-H]-	539.24388	246.3
[M+NH4]+	558.28498	234.8
[M+K]+	579.21432	230.6
[M+H-H2O]+	523.24842	219.4
[M+HCOO]-	585.24936	248.8
[M+CH3COO]-	599.26501	238.9
[M+Na-2H]-	561.22583	232.8
[M]+	540.25061	235.1
[M]-	540.25171	235.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.25844

234.2

[M+Na]+

563.24038

234.5

[M-H]-

539.24388

246.3

[M+NH4]+

558.28498

234.8

[M+K]+

579.21432

230.6

[M+H-H2O]+

523.24842

219.4

[M+HCOO]-

585.24936

248.8

[M+CH3COO]-

599.26501

238.9

[M+Na-2H]-

561.22583

232.8

[M]+

540.25061

235.1

[M]-

540.25171

235.1

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

2,3,4,6-tetra-o-benzyl-d-glucopyranose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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