CID 28264873

1172955-30-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂OS

SMILES

C1CN(CCN1)CC(=O)C2=CC=CS2

InChI

InChI=1S/C10H14N2OS/c13-9(10-2-1-7-14-10)8-12-5-3-11-4-6-12/h1-2,7,11H,3-6,8H2

InChIKey

JEEBHWUXOPEMAW-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-1-thiophen-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 210.08269 Da
Monoisotopic Mass: 1.0
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]+	211.08997	146.6
[M+Na]+	233.07191	152.0
[M-H]-	209.07541	148.6
[M+NH4]+	228.11651	163.9
[M+K]+	249.04585	148.6
[M+H-H2O]+	193.07995	139.2
[M+HCOO]-	255.08089	159.2
[M+CH3COO]-	269.09654	157.3
[M+Na-2H]-	231.05736	146.3
[M]+	210.08214	142.6
[M]-	210.08324	142.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.