CID 5288374

3-deoxy-d-glucosamine

Structural Information

Molecular Formula
C6H13NO4
SMILES
C1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N
InChI
InChI=1S/C6H13NO4/c7-3-1-4(9)5(2-8)11-6(3)10/h3-6,8-10H,1-2,7H2/t3-,4+,5-,6+/m1/s1
InChIKey
SNDZDGQLFKEBLF-MOJAZDJTSA-N
Compound name
(2S,3R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

163.08446 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.091736 134.0
[M+Na]+ 186.073678 140.0
[M-H]- 162.077184 133.8
[M+NH4]+ 181.118283 151.0
[M+K]+ 202.047618 139.3
[M+H-H2O]+ 146.081720 129.0
[M+HCOO]- 208.082661 150.8
[M+CH3COO]- 222.098311 172.3
[M+Na-2H]- 184.059126 137.4
[M]+ 163.08391142 128.7
[M]- 163.08500858 128.7
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