CID 16227245

84757-01-7

Structural Information

Molecular Formula

C₆H₈N₂OS₂

SMILES

CC1=C(SC(=S)N1)CC(=O)N

InChI

InChI=1S/C6H8N2OS2/c1-3-4(2-5(7)9)11-6(10)8-3/h2H2,1H3,(H2,7,9)(H,8,10)

InChIKey

JQJKFRUCYSHTEB-UHFFFAOYSA-N

Compound name

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 188.00781 Da
Monoisotopic Mass: 0.1
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]+	189.01509	138.9
[M+Na]+	210.99703	147.6
[M+NH4]+	206.04163	146.6
[M+K]+	226.97097	141.2
[M-H]-	187.00053	139.4
[M+Na-2H]-	208.98248	141.0
[M]+	188.00726	140.9
[M]-	188.00836	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe