CID 2737274

461046-73-1

Structural Information

Molecular Formula

C₁₀H₁₆N₂S

SMILES

C1CN(CCN1)CCC2=CC=CS2

InChI

InChI=1S/C10H16N2S/c1-2-10(13-9-1)3-6-12-7-4-11-5-8-12/h1-2,9,11H,3-8H2

InChIKey

PAVBVPAOAVNWGK-UHFFFAOYSA-N

Compound name

1-(2-thiophen-2-ylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 196.10342 Da
Monoisotopic Mass: 1.3
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]+	197.11070	143.6
[M+Na]+	219.09264	154.1
[M+NH4]+	214.13724	152.8
[M+K]+	235.06658	146.9
[M-H]-	195.09614	146.3
[M+Na-2H]-	217.07809	149.3
[M]+	196.10287	146.2
[M]-	196.10397	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe