CID 16277

1-methylpyridine-2-thione

Structural Information

Molecular Formula

SMILES

CN1C=CC=CC1=S

InChI

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

InChIKey

UHOAUPKGWPQNDM-UHFFFAOYSA-N

Compound name

1-methylpyridine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 93
Patents: 125.02992 Da
Monoisotopic Mass: 0.4
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]+	126.03720	119.1
[M+Na]+	148.01914	129.5
[M-H]-	124.02264	122.4
[M+NH4]+	143.06374	141.1
[M+K]+	163.99308	126.7
[M+H-H2O]+	108.02718	113.6
[M+HCOO]-	170.02812	138.3
[M+CH3COO]-	184.04377	169.2
[M+Na-2H]-	146.00459	124.7
[M]+	125.02937	120.3
[M]-	125.03047	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe