CID 28776598

2-(methylsulfanyl)-1-(piperazin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂OS

SMILES

CSCC(=O)N1CCNCC1

InChI

InChI=1S/C7H14N2OS/c1-11-6-7(10)9-4-2-8-3-5-9/h8H,2-6H2,1H3

InChIKey

YRUKQBNTWXFUBV-UHFFFAOYSA-N

Compound name

2-methylsulfanyl-1-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.08269 Da
Monoisotopic Mass: -0.3
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]+	175.08997	138.1
[M+Na]+	197.07191	143.2
[M-H]-	173.07541	136.7
[M+NH4]+	192.11651	155.3
[M+K]+	213.04585	140.9
[M+H-H2O]+	157.07995	131.4
[M+HCOO]-	219.08089	149.1
[M+CH3COO]-	233.09654	174.3
[M+Na-2H]-	195.05736	139.3
[M]+	174.08214	134.4
[M]-	174.08324	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe