CID 28776598

2375269-06-8

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	138.5
[M+Na]+	197.07191	147.7
[M+NH4]+	192.11651	146.2
[M+K]+	213.04585	140.6
[M-H]-	173.07541	138.4
[M+Na-2H]-	195.05736	141.6
[M]+	174.08214	139.9
[M]-	174.08324	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe