CID 668269

1-(2-chlorophenylcarbamoyl)piperidine

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O

SMILES

C1CCN(CC1)C(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C12H15ClN2O/c13-10-6-2-3-7-11(10)14-12(16)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2,(H,14,16)

InChIKey

LHVUYBCZBJINTH-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)piperidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.0873 Da
Monoisotopic Mass: 2.1
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]+	239.094576	152.9
[M+Na]+	261.076518	158.2
[M-H]-	237.080024	157.1
[M+NH4]+	256.121123	169.3
[M+K]+	277.050458	153.8
[M+H-H2O]+	221.084560	145.4
[M+HCOO]-	283.085501	168.2
[M+CH3COO]-	297.101151	190.1
[M+Na-2H]-	259.061966	157.0
[M]+	238.08675142	149.2
[M]-	238.08784858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe