CID 3494696

130288-91-4

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

C1CN(CCN1)CC2=CSC=C2

InChI

InChI=1S/C9H14N2S/c1-6-12-8-9(1)7-11-4-2-10-3-5-11/h1,6,8,10H,2-5,7H2

InChIKey

DCEFDTKYYGMWMX-UHFFFAOYSA-N

Compound name

1-(thiophen-3-ylmethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 48
Patents: 182.08777 Da
Monoisotopic Mass: 0.8
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]+	183.09505	139.3
[M+Na]+	205.07699	150.0
[M+NH4]+	200.12159	148.6
[M+K]+	221.05093	143.0
[M-H]-	181.08049	142.1
[M+Na-2H]-	203.06244	145.3
[M]+	182.08722	141.9
[M]-	182.08832	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe