CID 73216

Ethyl 2-aminothiazole-4-carboxylate

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CCOC(=O)C1=CSC(=N1)N
InChI
InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
InChIKey
XHFUVBWCMLLKOZ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

1378
Patents

172.03065 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe