CID 19259

Einecs 281-391-7

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CNCCC1(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)

InChIKey

DZZGGKPKWGPNJA-UHFFFAOYSA-N

Compound name

4-phenylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 733
Patents: 205.11028 Da
Monoisotopic Mass: -1.0
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	147.2
[M+Na]+	228.09950	151.7
[M-H]-	204.10300	149.0
[M+NH4]+	223.14410	164.6
[M+K]+	244.07344	148.2
[M+H-H2O]+	188.10754	140.3
[M+HCOO]-	250.10848	163.3
[M+CH3COO]-	264.12413	178.2
[M+Na-2H]-	226.08495	152.3
[M]+	205.10973	140.0
[M]-	205.11083	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe