CID 444914

4-deoxy-alpha-d-glucose

Structural Information

Molecular Formula
C6H12O5
SMILES
C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO
InChI
InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6-/m0/s1
InChIKey
HDEMQQHXNOJATE-AZGQCCRYSA-N
Compound name
(2S,3R,4S,6S)-6-(hydroxymethyl)oxane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

164.06847 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

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

Literature stripe

literature stripe

Patent stripe

patents stripe