CID 2050526

565165-44-8

Structural Information

Molecular Formula

C₈H₁₃ClN₂O₂

SMILES

CC(=O)N1CCN(CC1)C(=O)CCl

InChI

InChI=1S/C8H13ClN2O2/c1-7(12)10-2-4-11(5-3-10)8(13)6-9/h2-6H2,1H3

InChIKey

MPFZOVHTXAHCRJ-UHFFFAOYSA-N

Compound name

1-(4-acetylpiperazin-1-yl)-2-chloroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 204.06656 Da
Monoisotopic Mass: -0.4
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]+	205.07384	142.7
[M+Na]+	227.05578	153.3
[M+NH4]+	222.10038	149.5
[M+K]+	243.02972	148.3
[M-H]-	203.05928	141.9
[M+Na-2H]-	225.04123	146.1
[M]+	204.06601	143.9
[M]-	204.06711	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe