CID 5323764

18368-57-5

Structural Information

Molecular Formula

SMILES

CC1=CC=CC(=S)N1

InChI

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

InChIKey

IGZZHADAOWGUEI-UHFFFAOYSA-N

Compound name

6-methyl-1H-pyridine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 190
Patents: 125.02992 Da
Monoisotopic Mass: 1.2
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	119.8
[M+Na]+	148.01914	129.7
[M-H]-	124.02264	121.6
[M+NH4]+	143.06374	141.1
[M+K]+	163.99308	126.0
[M+H-H2O]+	108.02718	114.7
[M+HCOO]-	170.02812	137.5
[M+CH3COO]-	184.04377	166.4
[M+Na-2H]-	146.00459	125.0
[M]+	125.02937	119.1
[M]-	125.03047	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe