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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.