CID 222312

1440-60-4

Structural Information

Molecular Formula

C₇H₁₂ClNO

SMILES

C1CCN(CC1)C(=O)CCl

InChI

InChI=1S/C7H12ClNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2

InChIKey

NSWLMOHUXYULKL-UHFFFAOYSA-N

Compound name

2-chloro-1-piperidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 717
Patents: 161.06075 Da
Monoisotopic Mass: 1.2
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]+	162.06803	132.4
[M+Na]+	184.04997	143.9
[M+NH4]+	179.09457	141.3
[M+K]+	200.02391	137.4
[M-H]-	160.05347	133.6
[M+Na-2H]-	182.03542	137.7
[M]+	161.06020	134.4
[M]-	161.06130	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe