CID 590499

N-phenyl-4-piperidinecarboxamide hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CNCCC1C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O/c15-12(10-6-8-13-9-7-10)14-11-4-2-1-3-5-11/h1-5,10,13H,6-9H2,(H,14,15)

InChIKey

AKQIYQXGTBXWND-UHFFFAOYSA-N

Compound name

N-phenylpiperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 140
Patents: 204.12627 Da
Monoisotopic Mass: 1.1
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]+	205.13355	146.2
[M+Na]+	227.11549	149.3
[M-H]-	203.11899	148.9
[M+NH4]+	222.16009	162.0
[M+K]+	243.08943	145.8
[M+H-H2O]+	187.12353	138.2
[M+HCOO]-	249.12447	164.6
[M+CH3COO]-	263.14012	183.3
[M+Na-2H]-	225.10094	151.1
[M]+	204.12572	138.2
[M]-	204.12682	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe