CID 9877393

4-(methylthio)pyridin-2-amine

Structural Information

Molecular Formula

SMILES

CSC1=CC(=NC=C1)N

InChI

InChI=1S/C6H8N2S/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)

InChIKey

SHKOHQASQCDXIB-UHFFFAOYSA-N

Compound name

4-methylsulfanylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 140.04082 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]+	141.04810	125.4
[M+Na]+	163.03004	138.0
[M+NH4]+	158.07464	135.0
[M+K]+	179.00398	129.7
[M-H]-	139.03354	128.5
[M+Na-2H]-	161.01549	132.6
[M]+	140.04027	128.5
[M]-	140.04137	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe