CID 298484

Benzo[b]thiophen-4-ylamine

Structural Information

Molecular Formula

SMILES

C1=CC(=C2C=CSC2=C1)N

InChI

InChI=1S/C8H7NS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H,9H2

InChIKey

IRMXPESEXLQKHG-UHFFFAOYSA-N

Compound name

1-benzothiophen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 196
Patents: 149.02992 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]+	150.037196	124.9
[M+Na]+	172.019138	136.1
[M-H]-	148.022644	130.3
[M+NH4]+	167.063743	149.7
[M+K]+	187.993078	132.3
[M+H-H2O]+	132.027180	120.2
[M+HCOO]-	194.028121	147.3
[M+CH3COO]-	208.043771	140.4
[M+Na-2H]-	170.004586	131.0
[M]+	149.02937142	126.7
[M]-	149.03046858	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe