CID 40

2-deoxyhexopyranose

Structural Information

Molecular Formula

C₆H₁₂O₅

SMILES

C1C(C(C(OC1O)CO)O)O

InChI

InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2

InChIKey

PMMURAAUARKVCB-UHFFFAOYSA-N

Compound name

6-(hydroxymethyl)oxane-2,4,5-triol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 5807
References: 19173
Patents: 164.06847 Da
Monoisotopic Mass: -1.6
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]+	165.07575	132.4
[M+Na]+	187.05769	138.8
[M-H]-	163.06119	131.4
[M+NH4]+	182.10229	149.3
[M+K]+	203.03163	138.2
[M+H-H2O]+	147.06573	128.0
[M+HCOO]-	209.06667	147.6
[M+CH3COO]-	223.08232	167.5
[M+Na-2H]-	185.04314	136.2
[M]+	164.06792	128.6
[M]-	164.06902	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe