CID 136589527

Rac-(4r,6r)-2-oxo-6-phenylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H13NO3
SMILES
C1[C@H](CC(=O)N[C@H]1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H13NO3/c14-11-7-9(12(15)16)6-10(13-11)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)(H,15,16)/t9-,10-/m1/s1
InChIKey
OMXQPXCUIGPFAL-NXEZZACHSA-N
Compound name
(4R,6R)-2-oxo-6-phenylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 147.7
[M+Na]+ 242.07876 153.3
[M-H]- 218.08226 149.9
[M+NH4]+ 237.12336 162.9
[M+K]+ 258.05270 149.5
[M+H-H2O]+ 202.08680 140.6
[M+HCOO]- 264.08774 164.2
[M+CH3COO]- 278.10339 182.4
[M+Na-2H]- 240.06421 150.4
[M]+ 219.08899 141.7
[M]- 219.09009 141.7
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.