CID 24705741

2-(4-acetylpiperazin-1-yl)ethanethioamide

Structural Information

Molecular Formula

C₈H₁₅N₃OS

SMILES

CC(=O)N1CCN(CC1)CC(=S)N

InChI

InChI=1S/C8H15N3OS/c1-7(12)11-4-2-10(3-5-11)6-8(9)13/h2-6H2,1H3,(H2,9,13)

InChIKey

DYHQKCDHXMBJJV-UHFFFAOYSA-N

Compound name

2-(4-acetylpiperazin-1-yl)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 201.09358 Da
Monoisotopic Mass: -0.9
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]+	202.10086	145.2
[M+Na]+	224.08280	153.2
[M+NH4]+	219.12740	151.9
[M+K]+	240.05674	147.2
[M-H]-	200.08630	145.1
[M+Na-2H]-	222.06825	147.3
[M]+	201.09303	146.3
[M]-	201.09413	146.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.