CID 67319082

2-methoxypyridine-4-thiol

Structural Information

Molecular Formula

SMILES

COC1=CC(=S)C=CN1

InChI

InChI=1S/C6H7NOS/c1-8-6-4-5(9)2-3-7-6/h2-4H,1H3,(H,7,9)

InChIKey

FLJMPFDSKSSJEV-UHFFFAOYSA-N

Compound name

2-methoxy-1H-pyridine-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 141.02484 Da
Monoisotopic Mass: 0.9
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]+	142.032116	123.6
[M+Na]+	164.014058	133.4
[M-H]-	140.017564	125.3
[M+NH4]+	159.058663	144.1
[M+K]+	179.987998	130.0
[M+H-H2O]+	124.022100	118.1
[M+HCOO]-	186.023041	141.5
[M+CH3COO]-	200.038691	168.4
[M+Na-2H]-	161.999506	128.7
[M]+	141.02429142	124.3
[M]-	141.02538858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe