CID 414480

3-chloro-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula

C₈H₁₅ClN₂O

SMILES

CN1CCN(CC1)C(=O)CCCl

InChI

InChI=1S/C8H15ClN2O/c1-10-4-6-11(7-5-10)8(12)2-3-9/h2-7H2,1H3

InChIKey

OEJAGPGZKJGHKL-UHFFFAOYSA-N

Compound name

3-chloro-1-(4-methylpiperazin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 190.0873 Da
Monoisotopic Mass: 0.1
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]+	191.09458	141.5
[M+Na]+	213.07652	147.9
[M-H]-	189.08002	141.3
[M+NH4]+	208.12112	159.2
[M+K]+	229.05046	145.3
[M+H-H2O]+	173.08456	134.9
[M+HCOO]-	235.08550	154.1
[M+CH3COO]-	249.10115	181.1
[M+Na-2H]-	211.06197	144.8
[M]+	190.08675	139.9
[M]-	190.08785	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe