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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01509 136.1
[M+Na]+ 210.99703 145.8
[M-H]- 187.00053 137.2
[M+NH4]+ 206.04163 156.0
[M+K]+ 226.97097 140.5
[M+H-H2O]+ 171.00507 130.8
[M+HCOO]- 233.00601 148.1
[M+CH3COO]- 247.02166 178.8
[M+Na-2H]- 208.98248 134.2
[M]+ 188.00726 135.8
[M]- 188.00836 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe