CID 145867712

N,4-dimethyl-n-[2-(methylsulfanyl)ethyl]piperazine-1-carboxamide

Structural Information

Molecular Formula

C₁₀H₂₁N₃OS

SMILES

CN1CCN(CC1)C(=O)N(C)CCSC

InChI

InChI=1S/C10H21N3OS/c1-11-4-6-13(7-5-11)10(14)12(2)8-9-15-3/h4-9H2,1-3H3

InChIKey

WOSMOLLHLXLROZ-UHFFFAOYSA-N

Compound name

N,4-dimethyl-N-(2-methylsulfanylethyl)piperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.14053 Da
Monoisotopic Mass: 0.2
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]+	232.147806	154.2
[M+Na]+	254.129748	158.6
[M-H]-	230.133254	155.5
[M+NH4]+	249.174353	170.5
[M+K]+	270.103688	157.6
[M+H-H2O]+	214.137790	146.3
[M+HCOO]-	276.138731	167.1
[M+CH3COO]-	290.154381	194.7
[M+Na-2H]-	252.115196	153.7
[M]+	231.13998142	154.3
[M]-	231.14107858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.