CID 12267514

Rac-(3r,6r)-3-amino-6-phenylpiperidin-2-one

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1C[C@@H](NC(=O)[C@@H]1N)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2O/c12-9-6-7-10(13-11(9)14)8-4-2-1-3-5-8/h1-5,9-10H,6-7,12H2,(H,13,14)/t9-,10-/m1/s1
InChIKey
YMCIWBQWDBAHOC-NXEZZACHSA-N
Compound name
(3R,6R)-3-amino-6-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 142.1
[M+Na]+ 213.09983 147.9
[M-H]- 189.10333 145.2
[M+NH4]+ 208.14443 158.9
[M+K]+ 229.07377 143.8
[M+H-H2O]+ 173.10787 134.8
[M+HCOO]- 235.10881 161.2
[M+CH3COO]- 249.12446 181.8
[M+Na-2H]- 211.08528 146.3
[M]+ 190.11006 134.4
[M]- 190.11116 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

No patent data available for this compound.