CID 11988373

1-(benzo[b]thiophen-7-yl)piperazine

Structural Information

Molecular Formula

C₁₂H₁₄N₂S

SMILES

C1CN(CCN1)C2=CC=CC3=C2SC=C3

InChI

InChI=1S/C12H14N2S/c1-2-10-4-9-15-12(10)11(3-1)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2

InChIKey

KAIYEAVSYUNYRS-UHFFFAOYSA-N

Compound name

1-(1-benzothiophen-7-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 218.08777 Da
Monoisotopic Mass: 2.4
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]+	219.09505	145.1
[M+Na]+	241.07699	153.5
[M-H]-	217.08049	148.7
[M+NH4]+	236.12159	163.7
[M+K]+	257.05093	148.2
[M+H-H2O]+	201.08503	138.0
[M+HCOO]-	263.08597	159.2
[M+CH3COO]-	277.10162	157.0
[M+Na-2H]-	239.06244	148.4
[M]+	218.08722	142.5
[M]-	218.08832	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe