CID 818173

42951-91-7

Structural Information

Molecular Formula

C₇H₁₃ClN₂O

SMILES

CN1CCN(CC1)C(=O)CCl

InChI

InChI=1S/C7H13ClN2O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6H2,1H3

InChIKey

OTHMDVZIZBUTIE-UHFFFAOYSA-N

Compound name

2-chloro-1-(4-methylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 197
Patents: 176.07164 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]+	177.07892	136.9
[M+Na]+	199.06086	143.8
[M-H]-	175.06436	136.9
[M+NH4]+	194.10546	155.2
[M+K]+	215.03480	141.4
[M+H-H2O]+	159.06890	130.5
[M+HCOO]-	221.06984	149.9
[M+CH3COO]-	235.08549	178.1
[M+Na-2H]-	197.04631	140.8
[M]+	176.07109	134.9
[M]-	176.07219	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe