PubChemLite - Hydroxyethyl cellulose (C29H52O21)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)O)O

InChI

InChI=1S/C29H52O21/c1-10-15(34)16(35)24(13(8-33)45-10)49-28-20(39)18(37)25(50-29-26(43-5-4-30)21(40)23(42-3)12(7-32)47-29)14(48-28)9-44-27-19(38)17(36)22(41-2)11(6-31)46-27/h10-40H,4-9H2,1-3H3

InChIKey

CWSZBVAUYPTXTG-UHFFFAOYSA-N

Compound name

5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-[4-hydroxy-3-(2-hydroxyethoxy)-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-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]+	737.30738	255.1
[M+Na]+	759.28932	253.9
[M+NH4]+	754.33392	254.0
[M+K]+	775.26326	260.3
[M-H]-	735.29282	247.1
[M+Na-2H]-	757.27477	275.1
[M]+	736.29955	252.2
[M]-	736.30065	252.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

737.30738

255.1

[M+Na]+

759.28932

253.9

[M+NH4]+

754.33392

254.0

[M+K]+

775.26326

260.3

[M-H]-

735.29282

247.1

[M+Na-2H]-

757.27477

275.1

[M]+

736.29955

252.2

[M]-

736.30065

252.2

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

Hydroxyethyl cellulose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe