CID 18072391

N-(3,4-dichlorophenyl)piperidine-2-carboxamide hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄Cl₂N₂O

SMILES

C1CCNC(C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H14Cl2N2O/c13-9-5-4-8(7-10(9)14)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)

InChIKey

SHYZLGNMPFROMT-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)piperidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.0483 Da
Monoisotopic Mass: 3.9
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]+	273.055576	158.6
[M+Na]+	295.037518	164.8
[M-H]-	271.041024	161.0
[M+NH4]+	290.082123	173.6
[M+K]+	311.011458	158.2
[M+H-H2O]+	255.045560	152.3
[M+HCOO]-	317.046501	167.3
[M+CH3COO]-	331.062151	194.0
[M+Na-2H]-	293.022966	160.8
[M]+	272.04775142	154.9
[M]-	272.04884858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.