CID 5155622

1-(2-chloropropanoyl)-4-methylpiperidine

Structural Information

Molecular Formula

C₉H₁₆ClNO

SMILES

CC1CCN(CC1)C(=O)C(C)Cl

InChI

InChI=1S/C9H16ClNO/c1-7-3-5-11(6-4-7)9(12)8(2)10/h7-8H,3-6H2,1-2H3

InChIKey

RFQDAOADCODWCR-UHFFFAOYSA-N

Compound name

2-chloro-1-(4-methylpiperidin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 189.09204 Da
Monoisotopic Mass: 2.0
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]+	190.09932	140.8
[M+Na]+	212.08126	151.9
[M+NH4]+	207.12586	149.3
[M+K]+	228.05520	146.0
[M-H]-	188.08476	141.7
[M+Na-2H]-	210.06671	145.1
[M]+	189.09149	142.7
[M]-	189.09259	142.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.