CID 737325

2-(piperidin-1-yl)benzoic acid

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CCN(CC1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H15NO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)

InChIKey

TVEAZHOLMPKUGM-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 77
Patents: 205.11028 Da
Monoisotopic Mass: 2.4
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	145.6
[M+Na]+	228.09950	150.4
[M-H]-	204.10300	148.8
[M+NH4]+	223.14410	161.9
[M+K]+	244.07344	147.5
[M+H-H2O]+	188.10754	138.0
[M+HCOO]-	250.10848	163.1
[M+CH3COO]-	264.12413	182.3
[M+Na-2H]-	226.08495	149.4
[M]+	205.10973	140.2
[M]-	205.11083	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe