CID 6438405

73243-68-2

Structural Information

Molecular Formula
C15H21NO4
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](N1C/C=C/C2=CC=CC=C2)CO)O)O)O
InChI
InChI=1S/C15H21NO4/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11/h1-7,12-15,17-20H,8-10H2/b7-4+/t12-,13+,14-,15-/m1/s1
InChIKey
NNWNPDDADBLYNP-VHAFJGENSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

279.14706 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 166.4
[M+Na]+ 302.13628 171.5
[M-H]- 278.13978 165.9
[M+NH4]+ 297.18088 178.4
[M+K]+ 318.11022 166.2
[M+H-H2O]+ 262.14432 159.2
[M+HCOO]- 324.14526 179.7
[M+CH3COO]- 338.16091 190.8
[M+Na-2H]- 300.12173 166.3
[M]+ 279.14651 161.3
[M]- 279.14761 161.3
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