PubChemLite - 1,2,3,4-tetra-o-acetyl-6-o-(2,3,4,6-tetra-o-acetylhexopyranosyl)hexopyranose (C28H38O19)

Structural Information

Molecular Formula

SMILES

CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-12(2)30)23(41-14(4)32)25(43-16(6)34)27(46-19)38-10-20-22(40-13(3)31)24(42-15(5)33)26(44-17(7)35)28(47-20)45-18(8)36/h19-28H,9-10H2,1-8H3

InChIKey

GNTLGGDVHFXGLI-UHFFFAOYSA-N

Compound name

[3,4,5-triacetyloxy-6-[(3,4,5,6-tetraacetyloxyoxan-2-yl)methoxy]oxan-2-yl]methyl acetate

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]+	679.20802	264.8
[M+Na]+	701.18996	275.1
[M-H]-	677.19346	282.6
[M+NH4]+	696.23456	291.7
[M+K]+	717.16390	270.0
[M+H-H2O]+	661.19800	276.8
[M+HCOO]-	723.19894	283.4
[M+CH3COO]-	737.21459	276.2
[M+Na-2H]-	699.17541	268.9
[M]+	678.20019	272.9
[M]-	678.20129	272.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

679.20802

264.8

[M+Na]+

701.18996

275.1

[M-H]-

677.19346

282.6

[M+NH4]+

696.23456

291.7

[M+K]+

717.16390

270.0

[M+H-H2O]+

661.19800

276.8

[M+HCOO]-

723.19894

283.4

[M+CH3COO]-

737.21459

276.2

[M+Na-2H]-

699.17541

268.9

[M]+

678.20019

272.9

[M]-

678.20129

272.9

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

1,2,3,4-tetra-o-acetyl-6-o-(2,3,4,6-tetra-o-acetylhexopyranosyl)hexopyranose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe