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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.096816	147.1
[M+Na]+	242.078758	153.0
[M-H]-	218.082264	150.6
[M+NH4]+	237.123363	163.0
[M+K]+	258.052698	150.2
[M+H-H2O]+	202.086800	139.6
[M+HCOO]-	264.087741	165.0
[M+CH3COO]-	278.103391	184.8
[M+Na-2H]-	240.064206	150.2
[M]+	219.08899142	142.8
[M]-	219.09008858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.