CID 21781592

155222-37-0

Structural Information

Molecular Formula

SMILES

COC1=CC=CNC1=S

InChI

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

InChIKey

KCGPPRJSTIXUSF-UHFFFAOYSA-N

Compound name

3-methoxy-1H-pyridine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.02484 Da
Monoisotopic Mass: 1.0
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]+	142.03212	125.5
[M+Na]+	164.01406	138.7
[M+NH4]+	159.05866	134.5
[M+K]+	179.98800	130.4
[M-H]-	140.01756	127.2
[M+Na-2H]-	161.99951	132.2
[M]+	141.02429	128.3
[M]-	141.02539	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe