CID 350216

1-(3-chlorophenylcarbamoyl)piperidine

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C1CCN(CC1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H15ClN2O/c13-10-5-4-6-11(9-10)14-12(16)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,14,16)
InChIKey
YVYZDFWBAZLEMT-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

238.0873 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 152.9
[M+Na]+ 261.07652 158.2
[M-H]- 237.08002 157.1
[M+NH4]+ 256.12112 169.3
[M+K]+ 277.05046 153.8
[M+H-H2O]+ 221.08456 145.4
[M+HCOO]- 283.08550 168.2
[M+CH3COO]- 297.10115 190.1
[M+Na-2H]- 259.06197 157.0
[M]+ 238.08675 149.2
[M]- 238.08785 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe