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]+ 180.086656 137.2
[M+Na]+ 202.068598 143.6
[M-H]- 178.072104 135.9
[M+NH4]+ 197.113203 153.0
[M+K]+ 218.042538 142.6
[M+H-H2O]+ 162.076640 132.3
[M+HCOO]- 224.077581 152.6
[M+CH3COO]- 238.093231 173.9
[M+Na-2H]- 200.054046 139.4
[M]+ 179.07883142 131.9
[M]- 179.07992858 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