CID 12666893

126312-03-6

Structural Information

Molecular Formula

C₁₀H₁₁NS

SMILES

C1=CC=C2C(=C1)C=C(S2)CCN

InChI

InChI=1S/C10H11NS/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7H,5-6,11H2

InChIKey

CXXDPBZCQSWJEZ-UHFFFAOYSA-N

Compound name

2-(1-benzothiophen-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 177.06122 Da
Monoisotopic Mass: 2.3
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]+	178.06850	134.4
[M+Na]+	200.05044	147.3
[M+NH4]+	195.09504	145.2
[M+K]+	216.02438	139.3
[M-H]-	176.05394	138.5
[M+Na-2H]-	198.03589	141.6
[M]+	177.06067	137.9
[M]-	177.06177	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe