CID 501640

N-nonyldeoxynojirimycin

Structural Information

Molecular Formula
C15H31NO4
SMILES
CCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
InChIKey
FTSCEGKYKXESFF-LXTVHRRPSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

738
Patents

289.2253 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.23258 172.6
[M+Na]+ 312.21452 179.7
[M+NH4]+ 307.25912 177.0
[M+K]+ 328.18846 175.2
[M-H]- 288.21802 170.4
[M+Na-2H]- 310.19997 171.4
[M]+ 289.22475 172.4
[M]- 289.22585 172.4
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