CID 3002823

Ac1mhec1

Structural Information

Molecular Formula

C₈H₁₀N₂OS₂

SMILES

C1=CNC(=S)C(=C1)C(=S)NCCO

InChI

InChI=1S/C8H10N2OS2/c11-5-4-10-8(13)6-2-1-3-9-7(6)12/h1-3,11H,4-5H2,(H,9,12)(H,10,13)

InChIKey

FLEZWDLZIREEOR-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 214.02345 Da
Monoisotopic Mass: 0.2
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]+	215.03073	141.1
[M+Na]+	237.01267	148.5
[M-H]-	213.01617	140.4
[M+NH4]+	232.05727	157.4
[M+K]+	252.98661	141.5
[M+H-H2O]+	197.02071	135.1
[M+HCOO]-	259.02165	151.0
[M+CH3COO]-	273.03730	181.1
[M+Na-2H]-	234.99812	142.1
[M]+	214.02290	139.1
[M]-	214.02400	139.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.