CID 23583211

2-azido-2-deoxy-d-glucose

Structural Information

Molecular Formula
C6H11N3O5
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N=[N+]=[N-])O)O)O
InChI
InChI=1S/C6H11N3O5/c7-9-8-3-5(12)4(11)2(1-10)14-6(3)13/h2-6,10-13H,1H2/t2-,3-,4-,5-,6?/m1/s1
InChIKey
URARQBMUQIRZQO-IVMDWMLBSA-N
Compound name
(3R,4R,5S,6R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

205.06987 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07715 138.6
[M+Na]+ 228.05909 144.4
[M-H]- 204.06259 140.4
[M+NH4]+ 223.10369 153.9
[M+K]+ 244.03303 139.1
[M+H-H2O]+ 188.06713 137.4
[M+HCOO]- 250.06807 160.6
[M+CH3COO]- 264.08372 178.2
[M+Na-2H]- 226.04454 146.1
[M]+ 205.06932 132.9
[M]- 205.07042 132.9
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