CID 698750

24134-81-4

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S₃

SMILES

CC(=O)CSC1=C(C(=NS1)SCC(=O)C)C#N

InChI

InChI=1S/C10H10N2O2S3/c1-6(13)4-15-9-8(3-11)10(17-12-9)16-5-7(2)14/h4-5H2,1-2H3

InChIKey

WHNUYUHLQKDZGQ-UHFFFAOYSA-N

Compound name

3,5-bis(2-oxopropylsulfanyl)-1,2-thiazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 285.99045 Da
Monoisotopic Mass: 1.9
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]+	286.99773	146.9
[M+Na]+	308.97967	154.8
[M+NH4]+	304.02427	150.8
[M+K]+	324.95361	145.0
[M-H]-	284.98317	140.5
[M+Na-2H]-	306.96512	146.8
[M]+	285.98990	146.4
[M]-	285.99100	146.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.