CID 256071

2-pyridinemethanethiol

Structural Information

Molecular Formula

SMILES

C1=CC=NC(=C1)CS

InChI

InChI=1S/C6H7NS/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2

InChIKey

SJIIDWBFRZACDQ-UHFFFAOYSA-N

Compound name

pyridin-2-ylmethanethiol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 898
Patents: 125.02992 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]+	126.03720	121.7
[M+Na]+	148.01914	135.6
[M+NH4]+	143.06374	132.0
[M+K]+	163.99308	126.4
[M-H]-	124.02264	124.7
[M+Na-2H]-	146.00459	129.9
[M]+	125.02937	125.2
[M]-	125.03047	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe