CID 67770700

Methyl 2-sulfanyl-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C5H5NO2S2
SMILES
COC(=O)C1=CSC(=S)N1
InChI
InChI=1S/C5H5NO2S2/c1-8-4(7)3-2-10-5(9)6-3/h2H,1H3,(H,6,9)
InChIKey
IBEZFQXSZFDKNX-UHFFFAOYSA-N
Compound name
methyl 2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.97617 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.98345 132.1
[M+Na]+ 197.96539 142.4
[M-H]- 173.96889 133.9
[M+NH4]+ 193.00999 153.0
[M+K]+ 213.93933 138.6
[M+H-H2O]+ 157.97343 127.2
[M+HCOO]- 219.97437 144.6
[M+CH3COO]- 233.99002 172.0
[M+Na-2H]- 195.95084 131.7
[M]+ 174.97562 134.2
[M]- 174.97672 134.2
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