CID 21924842

Glytoucan:g61766bt

Structural Information

Molecular Formula

C₁₁H₂₀O₁₀

SMILES

C1C(C(C(C(O1)OC2C(C(C(OC2O)CO)O)O)O)O)O

InChI

InChI=1S/C11H20O10/c12-1-4-6(15)7(16)9(10(18)20-4)21-11-8(17)5(14)3(13)2-19-11/h3-18H,1-2H2

InChIKey

BUEBVQCTEJTADB-UHFFFAOYSA-N

Compound name

6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 363
Patents: 312.10565 Da
Monoisotopic Mass: -4.1
XlogP (predicted)

Profile

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]+	313.112926	167.5
[M+Na]+	335.094868	171.2
[M-H]-	311.098374	166.1
[M+NH4]+	330.139473	174.7
[M+K]+	351.068808	171.8
[M+H-H2O]+	295.102910	161.3
[M+HCOO]-	357.103851	173.2
[M+CH3COO]-	371.119501	193.2
[M+Na-2H]-	333.080316	166.1
[M]+	312.10510142	163.4
[M]-	312.10619858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe