CID 44890858

4-(piperidin-3-yl)benzoic acid

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CC(CNC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H15NO2/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11/h3-6,11,13H,1-2,7-8H2,(H,14,15)

InChIKey

CBQKKABCNQVVOP-UHFFFAOYSA-N

Compound name

4-piperidin-3-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 205.11028 Da
Monoisotopic Mass: -0.7
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]+	206.11756	147.0
[M+Na]+	228.09950	158.4
[M+NH4]+	223.14410	154.8
[M+K]+	244.07344	152.5
[M-H]-	204.10300	149.3
[M+Na-2H]-	226.08495	153.3
[M]+	205.10973	149.0
[M]-	205.11083	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe