CID 2723947

23003-22-7

Structural Information

Molecular Formula

SMILES

C1=CNC(=S)C(=C1)O

InChI

InChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)

InChIKey

MARYDOMJDFATPK-UHFFFAOYSA-N

Compound name

3-hydroxy-1H-pyridine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 1445
Patents: 127.009186 Da
Monoisotopic Mass: 0.7
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]+	128.01646	121.3
[M+Na]+	149.99840	134.1
[M+NH4]+	145.04301	130.1
[M+K]+	165.97234	126.4
[M-H]-	126.00191	122.5
[M+Na-2H]-	147.98385	127.6
[M]+	127.00864	123.8
[M]-	127.00973	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe