CID 69710

4-methoxy-2-methyl-5-(methylsulfanyl)pyridin-3-ol

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

CC1=NC=C(C(=C1O)OC)SC

InChI

InChI=1S/C8H11NO2S/c1-5-7(10)8(11-2)6(12-3)4-9-5/h4,10H,1-3H3

InChIKey

PZTHSDYEYQLIDM-UHFFFAOYSA-N

Compound name

4-methoxy-2-methyl-5-methylsulfanylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 185.05106 Da
Monoisotopic Mass: 1.4
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]+	186.05834	138.2
[M+Na]+	208.04028	151.1
[M+NH4]+	203.08488	146.5
[M+K]+	224.01422	143.4
[M-H]-	184.04378	139.6
[M+Na-2H]-	206.02573	143.5
[M]+	185.05051	140.9
[M]-	185.05161	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe