CID 50986305

1182969-06-7

Structural Information

Molecular Formula

C₉H₁₅ClN₂O₂

SMILES

CC(=O)NC1CCCN(C1)C(=O)CCl

InChI

InChI=1S/C9H15ClN2O2/c1-7(13)11-8-3-2-4-12(6-8)9(14)5-10/h8H,2-6H2,1H3,(H,11,13)

InChIKey

YDHPTUBYYCDODX-UHFFFAOYSA-N

Compound name

N-[1-(2-chloroacetyl)piperidin-3-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 218.0822 Da
Monoisotopic Mass: 0.2
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]+	219.08948	146.8
[M+Na]+	241.07142	156.1
[M+NH4]+	236.11602	153.8
[M+K]+	257.04536	151.2
[M-H]-	217.07492	147.1
[M+Na-2H]-	239.05687	150.1
[M]+	218.08165	148.0
[M]-	218.08275	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe