CID 16277

N-methyl-2-pyridinethione

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: 125
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]+	126.037196	119.1
[M+Na]+	148.019138	129.5
[M-H]-	124.022644	122.4
[M+NH4]+	143.063743	141.1
[M+K]+	163.993078	126.7
[M+H-H2O]+	108.027180	113.6
[M+HCOO]-	170.028121	138.3
[M+CH3COO]-	184.043771	169.2
[M+Na-2H]-	146.004586	124.7
[M]+	125.02937142	120.3
[M]-	125.03046858	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe