CID 21297530

3-methyl-4-pyridinethiol

Structural Information

Molecular Formula

SMILES

CC1=CNC=CC1=S

InChI

InChI=1S/C6H7NS/c1-5-4-7-3-2-6(5)8/h2-4H,1H3,(H,7,8)

InChIKey

SLPGDCCMTYJWSE-UHFFFAOYSA-N

Compound name

3-methyl-1H-pyridine-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 125.02992 Da
Monoisotopic Mass: 1.1
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]+	126.03720	122.1
[M+Na]+	148.01914	135.7
[M+NH4]+	143.06374	131.7
[M+K]+	163.99308	126.9
[M-H]-	124.02264	124.3
[M+Na-2H]-	146.00459	129.2
[M]+	125.02937	125.1
[M]-	125.03047	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe