PubChemLite - Methyl cellulose (C20H38O11)

Structural Information

Molecular Formula

SMILES

COCC1[C@H](C(C(C(O1)OC)OC)OC)O[C@H]2C(C(C(C(O2)COC)OC)OC)OC

InChI

InChI=1S/C20H38O11/c1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h11-20H,9-10H2,1-8H3/t11?,12?,13?,14-,15?,16?,17?,18?,19?,20+/m1/s1

InChIKey

YLGXILFCIXHCMC-JHGZEJCSSA-N

Compound name

(5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane

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]+	455.24870	203.7
[M+Na]+	477.23064	210.9
[M+NH4]+	472.27524	206.2
[M+K]+	493.20458	209.5
[M-H]-	453.23414	205.8
[M+Na-2H]-	475.21609	201.1
[M]+	454.24087	204.9
[M]-	454.24197	204.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.24870

203.7

[M+Na]+

477.23064

210.9

[M+NH4]+

472.27524

206.2

[M+K]+

493.20458

209.5

[M-H]-

453.23414

205.8

[M+Na-2H]-

475.21609

201.1

[M]+

454.24087

204.9

[M]-

454.24197

204.9

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

Methyl cellulose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe