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
3
Annotation Hits

0
References

50
Patents

172.9969 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.004176 131.6
[M+Na]+ 195.986118 142.4
[M-H]- 171.989624 133.6
[M+NH4]+ 191.030723 153.0
[M+K]+ 211.960058 138.0
[M+H-H2O]+ 155.994160 127.0
[M+HCOO]- 217.995101 143.5
[M+CH3COO]- 232.010751 174.7
[M+Na-2H]- 193.971566 130.1
[M]+ 172.99635142 133.2
[M]- 172.99744858 133.2
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