(2r,3r,4s,5s,6r)-5-{[(2s,3r,4s,5s,6r)-4,6-bis(ethoxymethyl)-3,5-dihydroxytetrahydro-2h-pyran-2-yl]oxy}-3-ethoxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,4-diol (C19H36O11)

Structural Information

Molecular Formula

SMILES

CCOC[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]2O)OCC)O)CO)COCC)O

InChI

InChI=1S/C19H36O11/c1-4-25-8-10-13(21)12(9-26-5-2)29-19(14(10)22)30-16-11(7-20)28-18(24)17(15(16)23)27-6-3/h10-24H,4-9H2,1-3H3/t10-,11+,12+,13-,14+,15-,16+,17+,18+,19-/m0/s1

InChIKey

GJQHNBFXPPDVQM-KSQRYXQLSA-N

Compound name

(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5S,6R)-4,6-bis(ethoxymethyl)-3,5-dihydroxyoxan-2-yl]oxy-3-ethoxy-6-(hydroxymethyl)oxane-2,4-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]+	441.233046	201.9
[M+Na]+	463.214988	203.4
[M-H]-	439.218494	202.0
[M+NH4]+	458.259593	205.5
[M+K]+	479.188928	205.2
[M+H-H2O]+	423.223030	194.1
[M+HCOO]-	485.223971	208.1
[M+CH3COO]-	499.239621	224.1
[M+Na-2H]-	461.200436	197.6
[M]+	440.22522142	206.0
[M]-	440.22631858	206.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.233046

201.9

[M+Na]+

463.214988

203.4

[M-H]-

439.218494

202.0

[M+NH4]+

458.259593

205.5

[M+K]+

479.188928

205.2

[M+H-H2O]+

423.223030

194.1

[M+HCOO]-

485.223971

208.1

[M+CH3COO]-

499.239621

224.1

[M+Na-2H]-

461.200436

197.6

[M]+

440.22522142

206.0

[M]-

440.22631858

206.0

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

(2r,3r,4s,5s,6r)-5-{[(2s,3r,4s,5s,6r)-4,6-bis(ethoxymethyl)-3,5-dihydroxytetrahydro-2h-pyran-2-yl]oxy}-3-ethoxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,4-diol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe