CID 67323

140-19-2

Structural Information

Molecular Formula

C₁₀H₁₀N₂S

SMILES

C1=CC=NC(=C1)NCC2=CC=CS2

InChI

InChI=1S/C10H10N2S/c1-2-6-11-10(5-1)12-8-9-4-3-7-13-9/h1-7H,8H2,(H,11,12)

InChIKey

SQJPDAQZMOQYLY-UHFFFAOYSA-N

Compound name

N-(thiophen-2-ylmethyl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 36
Patents: 190.05647 Da
Monoisotopic Mass: 2.4
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]+	191.06375	138.7
[M+Na]+	213.04569	151.5
[M+NH4]+	208.09029	148.7
[M+K]+	229.01963	143.5
[M-H]-	189.04919	143.6
[M+Na-2H]-	211.03114	148.0
[M]+	190.05592	142.4
[M]-	190.05702	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe