CID 475541

(2r,3r,4r,5s)-2-(hydroxymethyl)-4-methoxy-1-(6-propoxyhexyl)piperidine-3,5-diol

Structural Information

Molecular Formula
C16H33NO5
SMILES
CCCOCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)OC)O
InChI
InChI=1S/C16H33NO5/c1-3-9-22-10-7-5-4-6-8-17-11-14(19)16(21-2)15(20)13(17)12-18/h13-16,18-20H,3-12H2,1-2H3/t13-,14+,15-,16-/m1/s1
InChIKey
BEMFTWYUKWGLPJ-QKPAOTATSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-1-(6-propoxyhexyl)piperidine-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.23587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.24315 179.8
[M+Na]+ 342.22509 183.0
[M-H]- 318.22859 176.5
[M+NH4]+ 337.26969 191.3
[M+K]+ 358.19903 180.2
[M+H-H2O]+ 302.23313 172.6
[M+HCOO]- 364.23407 192.7
[M+CH3COO]- 378.24972 203.8
[M+Na-2H]- 340.21054 177.3
[M]+ 319.23532 181.7
[M]- 319.23642 181.7
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

No patent data available for this compound.