CID 439213

Glucosamine

Structural Information

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

2D Structure

compound 2d structure
9
Annotation Hits

20337
References

152152
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 135.7
[M+Na]+ 202.06860 143.1
[M+NH4]+ 197.11320 141.0
[M+K]+ 218.04254 142.0
[M-H]- 178.07210 135.4
[M+Na-2H]- 200.05405 135.5
[M]+ 179.07883 136.0
[M]- 179.07993 136.0
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