CID 118263086

1874319-63-7

Structural Information

Molecular Formula

C₈H₁₈N₂S

SMILES

CN1CCN(CC1)CCSC

InChI

InChI=1S/C8H18N2S/c1-9-3-5-10(6-4-9)7-8-11-2/h3-8H2,1-2H3

InChIKey

DNBKGKYSVPBXFV-UHFFFAOYSA-N

Compound name

1-methyl-4-(2-methylsulfanylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 174.11906 Da
Monoisotopic Mass: 0.7
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]+	175.126336	138.8
[M+Na]+	197.108278	144.8
[M-H]-	173.111784	138.9
[M+NH4]+	192.152883	157.2
[M+K]+	213.082218	142.9
[M+H-H2O]+	157.116320	131.8
[M+HCOO]-	219.117261	151.5
[M+CH3COO]-	233.132911	179.8
[M+Na-2H]-	195.093726	140.3
[M]+	174.11851142	137.6
[M]-	174.11960858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe