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: 1
Patents: 174.97617 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.98345	135.1
[M+Na]+	197.96539	144.7
[M+NH4]+	193.00999	143.0
[M+K]+	213.93933	138.1
[M-H]-	173.96889	135.0
[M+Na-2H]-	195.95084	137.7
[M]+	174.97562	137.1
[M]-	174.97672	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe