CID 12258737

59311-67-0

Structural Information

Molecular Formula

SMILES

C1=CSC=C1CCN

InChI

InChI=1S/C6H9NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1,3,7H2

InChIKey

OANLWIQYRRVBPY-UHFFFAOYSA-N

Compound name

2-thiophen-3-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 468
Patents: 127.04557 Da
Monoisotopic Mass: 1.0
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]+	128.05285	124.3
[M+Na]+	150.03479	134.6
[M+NH4]+	145.07939	134.3
[M+K]+	166.00873	128.0
[M-H]-	126.03829	127.1
[M+Na-2H]-	148.02024	130.1
[M]+	127.04502	126.9
[M]-	127.04612	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe