CID 1570

Pyrithione

Structural Information

Molecular Formula

SMILES

C1=CC(=S)N(C=C1)O

InChI

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

InChIKey

YBBJKCMMCRQZMA-UHFFFAOYSA-N

Compound name

1-hydroxypyridine-2-thione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 522
References: 26409
Patents: 127.009186 Da
Monoisotopic Mass: 0.5
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	121.1
[M+Na]+	149.99840	134.5
[M+NH4]+	145.04301	130.3
[M+K]+	165.97234	126.4
[M-H]-	126.00191	122.8
[M+Na-2H]-	147.98385	128.0
[M]+	127.00864	124.0
[M]-	127.00973	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe