CID 3032538

7725-93-1

Structural Information

Molecular Formula
C6H7NOS2
SMILES
CC1=C(SC(=S)N1)C(=O)C
InChI
InChI=1S/C6H7NOS2/c1-3-5(4(2)8)10-6(9)7-3/h1-2H3,(H,7,9)
InChIKey
CVQAKSAYAODIKY-UHFFFAOYSA-N
Compound name
1-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

172.9969 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.00418 136.2
[M+Na]+ 195.98612 146.5
[M+NH4]+ 191.03072 144.5
[M+K]+ 211.96006 139.3
[M-H]- 171.98962 136.7
[M+Na-2H]- 193.97157 138.8
[M]+ 172.99635 138.5
[M]- 172.99745 138.5
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