CID 3079078

N-beta-d-glucopyranosylhydroxyethylamine

Structural Information

Molecular Formula
C8H17NO6
SMILES
C(CO)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C8H17NO6/c10-2-1-9-8-7(14)6(13)5(12)4(3-11)15-8/h4-14H,1-3H2/t4-,5-,6+,7-,8-/m1/s1
InChIKey
QWIWMRDGATVZMF-JAJWTYFOSA-N
Compound name
(2R,3R,4S,5S,6R)-2-(2-hydroxyethylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

223.10559 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11287 147.4
[M+Na]+ 246.09481 153.6
[M+NH4]+ 241.13941 151.6
[M+K]+ 262.06875 152.7
[M-H]- 222.09831 146.2
[M+Na-2H]- 244.08026 146.2
[M]+ 223.10504 147.2
[M]- 223.10614 147.2
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