CID 3001425

186044-56-4

Structural Information

Molecular Formula

C₈H₁₀N₂S₂

SMILES

CCSC1=CC(=NC=C1)C(=S)N

InChI

InChI=1S/C8H10N2S2/c1-2-12-6-3-4-10-7(5-6)8(9)11/h3-5H,2H2,1H3,(H2,9,11)

InChIKey

GHZIACKJRCQDIE-UHFFFAOYSA-N

Compound name

4-ethylsulfanylpyridine-2-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 198.02853 Da
Monoisotopic Mass: 1.5
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]+	199.03581	137.5
[M+Na]+	221.01775	145.8
[M-H]-	197.02125	139.3
[M+NH4]+	216.06235	155.8
[M+K]+	236.99169	140.5
[M+H-H2O]+	181.02579	131.1
[M+HCOO]-	243.02673	149.4
[M+CH3COO]-	257.04238	184.8
[M+Na-2H]-	219.00320	138.2
[M]+	198.02798	137.7
[M]-	198.02908	137.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.