CID 4356513

Ethyl 2-(2-amino-4-thiazolyl)-2-oxoacetate

Structural Information

Molecular Formula
C7H8N2O3S
SMILES
CCOC(=O)C(=O)C1=CSC(=N1)N
InChI
InChI=1S/C7H8N2O3S/c1-2-12-6(11)5(10)4-3-13-7(8)9-4/h3H,2H2,1H3,(H2,8,9)
InChIKey
XNVRKLCQBZTGNA-UHFFFAOYSA-N
Compound name
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
Patents

200.02556 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03284 141.2
[M+Na]+ 223.01478 149.5
[M-H]- 199.01828 143.7
[M+NH4]+ 218.05938 160.8
[M+K]+ 238.98872 148.1
[M+H-H2O]+ 183.02282 134.9
[M+HCOO]- 245.02376 159.9
[M+CH3COO]- 259.03941 182.5
[M+Na-2H]- 221.00023 141.3
[M]+ 200.02501 144.0
[M]- 200.02611 144.0
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