CID 343747

Ethyl 2-amino-4-methylthiazole-5-carboxylate

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CCOC(=O)C1=C(N=C(S1)N)C
InChI
InChI=1S/C7H10N2O2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3,(H2,8,9)
InChIKey
WZHUPCREDVWLKC-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

566
Patents

186.0463 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 139.9
[M+Na]+ 209.03552 149.2
[M+NH4]+ 204.08012 147.3
[M+K]+ 225.00946 144.8
[M-H]- 185.03902 140.4
[M+Na-2H]- 207.02097 143.0
[M]+ 186.04575 141.5
[M]- 186.04685 141.5
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