CID 73555757

Cellulose, carboxymethyl methyl ether

Structural Information

Molecular Formula
C18H32O14
SMILES
COC1C(OC(C(C1O)OC)OC2(C(OC(C(C2OCC(=O)O)OC)O)CO)OC)CO
InChI
InChI=1S/C18H32O14/c1-25-12-8(5-19)30-17(13(26-2)11(12)23)32-18(28-4)9(6-20)31-16(24)14(27-3)15(18)29-7-10(21)22/h8-9,11-17,19-20,23-24H,5-7H2,1-4H3,(H,21,22)
InChIKey
KUSLBPYBXHLYER-UHFFFAOYSA-N
Compound name
2-[6-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3,5-dimethoxyoxan-2-yl]oxy-2-(hydroxymethyl)-3,5-dimethoxyoxan-4-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1792 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.18648 200.8
[M+Na]+ 495.16842 203.9
[M+NH4]+ 490.21302 201.0
[M+K]+ 511.14236 205.4
[M-H]- 471.17192 198.4
[M+Na-2H]- 493.15387 196.1
[M]+ 472.17865 199.7
[M]- 472.17975 199.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.