CID 50988459

2-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethan-1-one hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂OS

SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)CCl

InChI

InChI=1S/C11H15ClN2OS/c12-7-11(15)14-4-2-13(3-5-14)8-10-1-6-16-9-10/h1,6,9H,2-5,7-8H2

InChIKey

WPOQXWCCIJIZAH-UHFFFAOYSA-N

Compound name

2-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 258.05936 Da
Monoisotopic Mass: 1.3
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]+	259.066636	157.2
[M+Na]+	281.048578	164.1
[M-H]-	257.052084	160.7
[M+NH4]+	276.093183	174.4
[M+K]+	297.022518	159.8
[M+H-H2O]+	241.056620	150.0
[M+HCOO]-	303.057561	166.2
[M+CH3COO]-	317.073211	189.3
[M+Na-2H]-	279.034026	155.6
[M]+	258.05881142	157.4
[M]-	258.05990858	157.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.