CID 444139

4,6-dideoxy-4-amino-alpha-d-glucose

Structural Information

Molecular Formula
C6H13NO4
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N
InChI
InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
InChIKey
RJKBJEZZABBYBA-DVKNGEFBSA-N
Compound name
(2S,3R,4S,5S,6R)-5-amino-6-methyloxane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

163.08446 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09174 134.1
[M+Na]+ 186.07368 141.1
[M-H]- 162.07718 134.3
[M+NH4]+ 181.11828 151.5
[M+K]+ 202.04762 140.5
[M+H-H2O]+ 146.08172 129.4
[M+HCOO]- 208.08266 150.9
[M+CH3COO]- 222.09831 173.6
[M+Na-2H]- 184.05913 136.8
[M]+ 163.08391 129.3
[M]- 163.08501 129.3
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