CID 413791

1-(2-chloroethyl)-4-methylpiperazine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₅ClN₂

SMILES

CN1CCN(CC1)CCCl

InChI

InChI=1S/C7H15ClN2/c1-9-4-6-10(3-2-8)7-5-9/h2-7H2,1H3

InChIKey

FHDYRFNCTJFNQX-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 474
Patents: 162.09238 Da
Monoisotopic Mass: 0.7
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]+	163.09966	135.3
[M+Na]+	185.08160	142.0
[M-H]-	161.08510	135.0
[M+NH4]+	180.12620	154.2
[M+K]+	201.05554	139.3
[M+H-H2O]+	145.08964	128.7
[M+HCOO]-	207.09058	148.7
[M+CH3COO]-	221.10623	176.8
[M+Na-2H]-	183.06705	140.3
[M]+	162.09183	133.2
[M]-	162.09293	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe