CID 2771726

2-thiophen-2-yl-piperazine

Structural Information

Molecular Formula

C₈H₁₂N₂S

SMILES

C1CNC(CN1)C2=CC=CS2

InChI

InChI=1S/C8H12N2S/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,7,9-10H,3-4,6H2

InChIKey

BFVCDPJJFUPNAQ-UHFFFAOYSA-N

Compound name

2-thiophen-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 168.07211 Da
Monoisotopic Mass: 0.4
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]+	169.07939	134.9
[M+Na]+	191.06133	145.3
[M+NH4]+	186.10593	144.1
[M+K]+	207.03527	138.9
[M-H]-	167.06483	137.2
[M+Na-2H]-	189.04678	140.6
[M]+	168.07156	137.3
[M]-	168.07266	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe