CID 441314

Miglitol

Structural Information

Molecular Formula
C8H17NO5
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](N1CCO)CO)O)O)O
InChI
InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
InChIKey
IBAQFPQHRJAVAV-ULAWRXDQSA-N
Compound name
(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

367
References

43933
Patents

207.11067 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.117946 146.4
[M+Na]+ 230.099888 152.3
[M-H]- 206.103394 141.8
[M+NH4]+ 225.144493 161.0
[M+K]+ 246.073828 149.5
[M+H-H2O]+ 190.107930 141.2
[M+HCOO]- 252.108871 158.9
[M+CH3COO]- 266.124521 175.4
[M+Na-2H]- 228.085336 146.8
[M]+ 207.11012142 141.6
[M]- 207.11121858 141.6
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