CID 19017671

4-aminothiazole-5-carboxylic acid ethyl ester

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CCOC(=O)C1=C(N=CS1)N

InChI

InChI=1S/C6H8N2O2S/c1-2-10-6(9)4-5(7)8-3-11-4/h3H,2,7H2,1H3

InChIKey

FJFZZDZSPYBKBD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 172.03065 Da
Monoisotopic Mass: 1.7
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]+	173.037926	134.0
[M+Na]+	195.019868	142.9
[M-H]-	171.023374	136.6
[M+NH4]+	190.064473	155.0
[M+K]+	210.993808	141.3
[M+H-H2O]+	155.027910	127.9
[M+HCOO]-	217.028851	153.6
[M+CH3COO]-	231.044501	177.4
[M+Na-2H]-	193.005316	135.5
[M]+	172.03010142	136.3
[M]-	172.03119858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe