CID 45038566

6-oxo-1-phenylpiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H13NO3
SMILES
C1CC(=O)N(CC1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C12H13NO3/c14-11-7-6-9(12(15)16)8-13(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,15,16)
InChIKey
USERNGMOEBNQGS-UHFFFAOYSA-N
Compound name
6-oxo-1-phenylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 147.1
[M+Na]+ 242.07876 153.0
[M-H]- 218.08226 150.6
[M+NH4]+ 237.12336 163.0
[M+K]+ 258.05270 150.2
[M+H-H2O]+ 202.08680 139.6
[M+HCOO]- 264.08774 165.0
[M+CH3COO]- 278.10339 184.8
[M+Na-2H]- 240.06421 150.2
[M]+ 219.08899 142.8
[M]- 219.09009 142.8
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.