CID 451530

Nd900

Structural Information

Molecular Formula
C15H23NO4
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](N1CCCC2=CC=CC=C2)CO)O)O)O
InChI
InChI=1S/C15H23NO4/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-15,17-20H,4,7-10H2/t12-,13+,14-,15-/m1/s1
InChIKey
MUJKKNQFSSWNPA-LXTVHRRPSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

281.16272 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 167.2
[M+Na]+ 304.15194 171.9
[M-H]- 280.15544 166.6
[M+NH4]+ 299.19654 179.2
[M+K]+ 320.12588 167.2
[M+H-H2O]+ 264.15998 159.8
[M+HCOO]- 326.16092 180.2
[M+CH3COO]- 340.17657 192.2
[M+Na-2H]- 302.13739 167.1
[M]+ 281.16217 162.8
[M]- 281.16327 162.8
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