CID 2820511

Ethyl 5-amino-3-methylisothiazole-4-carboxylate

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CCOC(=O)C1=C(SN=C1C)N
InChI
InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-4(2)9-12-6(5)8/h3,8H2,1-2H3
InChIKey
ZDGBWOZFPKNORL-UHFFFAOYSA-N
Compound name
ethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

60
Patents

186.0463 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 138.1
[M+Na]+ 209.035518 147.5
[M-H]- 185.039024 140.9
[M+NH4]+ 204.080123 158.9
[M+K]+ 225.009458 145.6
[M+H-H2O]+ 169.043560 132.1
[M+HCOO]- 231.044501 157.4
[M+CH3COO]- 245.060151 181.6
[M+Na-2H]- 207.020966 138.5
[M]+ 186.04575142 141.2
[M]- 186.04684858 141.2
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