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: 136
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]+	169.079386	134.8
[M+Na]+	191.061328	140.9
[M-H]-	167.064834	135.7
[M+NH4]+	186.105933	153.3
[M+K]+	207.035268	136.7
[M+H-H2O]+	151.069370	128.1
[M+HCOO]-	213.070311	147.2
[M+CH3COO]-	227.085961	146.0
[M+Na-2H]-	189.046776	136.2
[M]+	168.07156142	128.2
[M]-	168.07265858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe