CID 25219524

Ethyl 2-(methylthio)-1,3-thiazole-4-carboxylate

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

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]+	204.01476	142.9
[M+Na]+	225.99670	152.8
[M+NH4]+	221.04130	151.2
[M+K]+	241.97064	145.5
[M-H]-	202.00020	143.6
[M+Na-2H]-	223.98215	145.9
[M]+	203.00693	145.3
[M]-	203.00803	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe