PubChemLite - Cellulose hydroxyethylate (C36H70O19)

Structural Information

Molecular Formula

SMILES

CC(COCC1C(C(C(C(O1)OC2C(OC(C(C2OCC(C)O)OCC(C)O)OCC(C)O)COCC(C)O)OCC(C)O)OCC(C)O)OCC(C)O)O

InChI

InChI=1S/C36H70O19/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41/h19-44H,9-18H2,1-8H3

InChIKey

DFJVHKAPIXJTSC-UHFFFAOYSA-N

Compound name

1-[[3,4,5-tris(2-hydroxypropoxy)-6-[4,5,6-tris(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]propan-2-ol

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]+	807.45838	278.6
[M+Na]+	829.44032	280.3
[M+NH4]+	824.48492	279.7
[M+K]+	845.41426	280.2
[M-H]-	805.44382	273.3
[M+Na-2H]-	827.42577	299.0
[M]+	806.45055	278.2
[M]-	806.45165	278.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

807.45838

278.6

[M+Na]+

829.44032

280.3

[M+NH4]+

824.48492

279.7

[M+K]+

845.41426

280.2

[M-H]-

805.44382

273.3

[M+Na-2H]-

827.42577

299.0

[M]+

806.45055

278.2

[M]-

806.45165

278.2

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

Cellulose hydroxyethylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe