CID 9860102

(3r,4r,5r)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol

Structural Information

Molecular Formula
C15H23NO3
SMILES
C1[C@@H]([C@H]([C@@H](CN1CCCC2=CC=CC=C2)O)O)CO
InChI
InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1
InChIKey
NKARZGURZMIRMA-RBSFLKMASA-N
Compound name
(3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

265.1678 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 163.9
[M+Na]+ 288.15702 168.3
[M-H]- 264.16052 164.4
[M+NH4]+ 283.20162 177.1
[M+K]+ 304.13096 163.7
[M+H-H2O]+ 248.16506 156.3
[M+HCOO]- 310.16600 178.4
[M+CH3COO]- 324.18165 190.9
[M+Na-2H]- 286.14247 165.0
[M]+ 265.16725 159.5
[M]- 265.16835 159.5
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.