CID 59085757

Rac-(5r,6s)-5-amino-6-phenylpiperidin-2-one

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CC(=O)N[C@H]([C@@H]1N)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2O/c12-9-6-7-10(14)13-11(9)8-4-2-1-3-5-8/h1-5,9,11H,6-7,12H2,(H,13,14)/t9-,11+/m1/s1
InChIKey
BKFJIBKJLGSOGY-KOLCDFICSA-N
Compound name
(5R,6S)-5-amino-6-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

190.11061 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 142.1
[M+Na]+ 213.099828 147.9
[M-H]- 189.103334 145.2
[M+NH4]+ 208.144433 158.9
[M+K]+ 229.073768 143.8
[M+H-H2O]+ 173.107870 134.8
[M+HCOO]- 235.108811 161.2
[M+CH3COO]- 249.124461 181.8
[M+Na-2H]- 211.085276 146.3
[M]+ 190.11006142 134.4
[M]- 190.11115858 134.4
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

patents stripe