PubChemLite - Chebi:145746 (C15H28O11)

Structural Information

Molecular Formula

SMILES

CO[C@H]1[C@@H]([C@H](O[C@H]([C@H]1O)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2OC)O)OC)CO)CO)O

InChI

InChI=1S/C15H28O11/c1-21-12-8(18)6(4-16)24-15(9(12)19)26-11-7(5-17)25-14(23-3)10(20)13(11)22-2/h6-20H,4-5H2,1-3H3/t6-,7-,8-,9+,10+,11-,12+,13-,14+,15+/m1/s1

InChIKey

GJVGVCRJQPOURF-AAYHEAFJSA-N

Compound name

(2S,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-5-hydroxy-2-(hydroxymethyl)-4,6-dimethoxyoxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol

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]+	385.17043	184.6
[M+Na]+	407.15237	188.0
[M-H]-	383.15587	185.6
[M+NH4]+	402.19697	190.5
[M+K]+	423.12631	190.4
[M+H-H2O]+	367.16041	177.5
[M+HCOO]-	429.16135	192.2
[M+CH3COO]-	443.17700	212.5
[M+Na-2H]-	405.13782	182.2
[M]+	384.16260	187.4
[M]-	384.16370	187.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

385.17043

184.6

[M+Na]+

407.15237

188.0

[M-H]-

383.15587

185.6

[M+NH4]+

402.19697

190.5

[M+K]+

423.12631

190.4

[M+H-H2O]+

367.16041

177.5

[M+HCOO]-

429.16135

192.2

[M+CH3COO]-

443.17700

212.5

[M+Na-2H]-

405.13782

182.2

[M]+

384.16260

187.4

[M]-

384.16370

187.4

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

Chebi:145746

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe