CID 4584285

56149-33-8

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O

SMILES

C1CCN(CC1)C(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C11H13ClN2O/c12-10-9(5-4-6-13-10)11(15)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2

InChIKey

PHTPEDJMJRDQMY-UHFFFAOYSA-N

Compound name

(2-chloropyridin-3-yl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 224.07164 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]+	225.07892	148.1
[M+Na]+	247.06086	154.6
[M-H]-	223.06436	151.0
[M+NH4]+	242.10546	163.9
[M+K]+	263.03480	150.4
[M+H-H2O]+	207.06890	139.9
[M+HCOO]-	269.06984	161.2
[M+CH3COO]-	283.08549	185.7
[M+Na-2H]-	245.04631	152.4
[M]+	224.07109	145.2
[M]-	224.07219	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe