CID 14152978

1027709-85-8

Structural Information

Molecular Formula

C₁₀H₁₁NS

SMILES

CC(C1=CSC2=CC=CC=C21)N

InChI

InChI=1S/C10H11NS/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-7H,11H2,1H3

InChIKey

QHQWHUVCNWLPGV-UHFFFAOYSA-N

Compound name

1-(1-benzothiophen-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 177.06122 Da
Monoisotopic Mass: 2.2
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]+	178.068496	135.0
[M+Na]+	200.050438	144.9
[M-H]-	176.053944	140.1
[M+NH4]+	195.095043	158.6
[M+K]+	216.024378	141.2
[M+H-H2O]+	160.058480	130.0
[M+HCOO]-	222.059421	155.6
[M+CH3COO]-	236.075071	149.5
[M+Na-2H]-	198.035886	138.9
[M]+	177.06067142	136.9
[M]-	177.06176858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe