CID 108223

2-deoxy-d-glucose

Structural Information

Molecular Formula
C6H12O5
SMILES
C(C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1
InChIKey
VRYALKFFQXWPIH-PBXRRBTRSA-N
Compound name
(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

13029
References

26392
Patents

164.06847 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07575 134.7
[M+Na]+ 187.05769 140.6
[M+NH4]+ 182.10229 139.0
[M+K]+ 203.03163 140.0
[M-H]- 163.06119 129.6
[M+Na-2H]- 185.04314 133.7
[M]+ 164.06792 133.3
[M]- 164.06902 133.3
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