CID 238005

Methyl 2-aminothiazole-5-carboxylate

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
COC(=O)C1=CN=C(S1)N
InChI
InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3,(H2,6,7)
InChIKey
UJNNCGWBDJHCEM-UHFFFAOYSA-N
Compound name
methyl 2-amino-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

453
Patents

158.015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.022276 129.5
[M+Na]+ 181.004218 138.9
[M-H]- 157.007724 132.3
[M+NH4]+ 176.048823 151.1
[M+K]+ 196.978158 137.6
[M+H-H2O]+ 141.012260 123.6
[M+HCOO]- 203.013201 149.5
[M+CH3COO]- 217.028851 174.4
[M+Na-2H]- 178.989666 131.5
[M]+ 158.01445142 131.5
[M]- 158.01554858 131.5
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