CID 19916941

138139-99-8

Structural Information

Molecular Formula

C₁₁H₁₁NS

SMILES

C1=CC(=CC(=C1)C2=CSC=C2)CN

InChI

InChI=1S/C11H11NS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-6,8H,7,12H2

InChIKey

GBUXQFDNGWGBJH-UHFFFAOYSA-N

Compound name

(3-thiophen-3-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 189.06122 Da
Monoisotopic Mass: 2.1
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]+	190.06850	139.3
[M+Na]+	212.05044	152.2
[M+NH4]+	207.09504	149.9
[M+K]+	228.02438	144.2
[M-H]-	188.05394	145.0
[M+Na-2H]-	210.03589	148.1
[M]+	189.06067	143.3
[M]-	189.06177	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe