CID 53408088

1340583-40-5

Structural Information

Molecular Formula

C₆H₇ClN₂O₂S

SMILES

CCOC(=O)C1=C(SC(=N1)Cl)N

InChI

InChI=1S/C6H7ClN2O2S/c1-2-11-5(10)3-4(8)12-6(7)9-3/h2,8H2,1H3

InChIKey

FNKGRDMWAZPEMI-UHFFFAOYSA-N

Compound name

ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.99167 Da
Monoisotopic Mass: 2.7
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]+	206.998946	139.9
[M+Na]+	228.980888	150.2
[M-H]-	204.984394	142.8
[M+NH4]+	224.025493	160.6
[M+K]+	244.954828	146.8
[M+H-H2O]+	188.988930	134.9
[M+HCOO]-	250.989871	154.9
[M+CH3COO]-	265.005521	182.4
[M+Na-2H]-	226.966336	140.3
[M]+	205.99112142	144.3
[M]-	205.99221858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe