CID 23073578

2-(methylsulfanyl)pyridin-4-ol

Structural Information

Molecular Formula

SMILES

CSC1=CC(=O)C=CN1

InChI

InChI=1S/C6H7NOS/c1-9-6-4-5(8)2-3-7-6/h2-4H,1H3,(H,7,8)

InChIKey

UDOJBJDWMCKREP-UHFFFAOYSA-N

Compound name

2-methylsulfanyl-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 141.02484 Da
Monoisotopic Mass: 0.9
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]+	142.03212	125.5
[M+Na]+	164.01406	138.7
[M+NH4]+	159.05866	134.5
[M+K]+	179.98800	130.4
[M-H]-	140.01756	127.2
[M+Na-2H]-	161.99951	132.2
[M]+	141.02429	128.3
[M]-	141.02539	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe