CID 25219524

40279-32-1

Structural Information

Molecular Formula
C7H9NO2S2
SMILES
CCOC(=O)C1=CSC(=N1)SC
InChI
InChI=1S/C7H9NO2S2/c1-3-10-6(9)5-4-12-7(8-5)11-2/h4H,3H2,1-2H3
InChIKey
CTQNPBGNKPCYSR-UHFFFAOYSA-N
Compound name
ethyl 2-methylsulfanyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

203.00748 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.01476 140.4
[M+Na]+ 225.99670 150.0
[M-H]- 202.00020 143.3
[M+NH4]+ 221.04130 161.0
[M+K]+ 241.97064 147.4
[M+H-H2O]+ 186.00474 134.9
[M+HCOO]- 248.00568 153.7
[M+CH3COO]- 262.02133 181.2
[M+Na-2H]- 223.98215 139.6
[M]+ 203.00693 145.8
[M]- 203.00803 145.8
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