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

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 131.6
[M+Na]+ 195.98612 142.4
[M-H]- 171.98962 133.6
[M+NH4]+ 191.03072 153.0
[M+K]+ 211.96006 138.0
[M+H-H2O]+ 155.99416 127.0
[M+HCOO]- 217.99510 143.5
[M+CH3COO]- 232.01075 174.7
[M+Na-2H]- 193.97157 130.1
[M]+ 172.99635 133.2
[M]- 172.99745 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