CID 17753995

4-deoxy-4-amino-beta-d-glucose

Structural Information

Molecular Formula
C6H13NO5
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N)O
InChI
InChI=1S/C6H13NO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6+/m1/s1
InChIKey
BXZVZSSSRTUQJP-DVKNGEFBSA-N
Compound name
(2S,3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.07938 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08666 137.2
[M+Na]+ 202.06860 143.6
[M-H]- 178.07210 135.9
[M+NH4]+ 197.11320 153.0
[M+K]+ 218.04254 142.6
[M+H-H2O]+ 162.07664 132.3
[M+HCOO]- 224.07758 152.6
[M+CH3COO]- 238.09323 173.9
[M+Na-2H]- 200.05405 139.4
[M]+ 179.07883 131.9
[M]- 179.07993 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe