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]+	807.458376	271.7
[M+Na]+	829.440318	269.1
[M-H]-	805.443824	270.8
[M+NH4]+	824.484923	271.4
[M+K]+	845.414258	263.0
[M+H-H2O]+	789.448360	259.6
[M+HCOO]-	851.449301	272.5
[M+CH3COO]-	865.464951	292.4
[M+Na-2H]-	827.425766	299.2
[M]+	806.45055142	279.2
[M]-	806.45164858	279.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

807.458376

271.7

[M+Na]+

829.440318

269.1

[M-H]-

805.443824

270.8

[M+NH4]+

824.484923

271.4

[M+K]+

845.414258

263.0

[M+H-H2O]+

789.448360

259.6

[M+HCOO]-

851.449301

272.5

[M+CH3COO]-

865.464951

292.4

[M+Na-2H]-

827.425766

299.2

[M]+

806.45055142

279.2

[M]-

806.45164858

279.2

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