Methylcellulose (4000 cps) (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]+	455.248696	202.5
[M+Na]+	477.230638	206.0
[M-H]-	453.234144	209.4
[M+NH4]+	472.275243	209.2
[M+K]+	493.204578	211.4
[M+H-H2O]+	437.238680	194.0
[M+HCOO]-	499.239621	216.1
[M+CH3COO]-	513.255271	236.5
[M+Na-2H]-	475.216086	200.2
[M]+	454.24087142	215.9
[M]-	454.24196858	215.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.248696

202.5

[M+Na]+

477.230638

206.0

[M-H]-

453.234144

209.4

[M+NH4]+

472.275243

209.2

[M+K]+

493.204578

211.4

[M+H-H2O]+

437.238680

194.0

[M+HCOO]-

499.239621

216.1

[M+CH3COO]-

513.255271

236.5

[M+Na-2H]-

475.216086

200.2

[M]+

454.24087142

215.9

[M]-

454.24196858

215.9

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

Methylcellulose (4000 cps)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe