CID 1132801

Methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CC1=C(N=C(S1)N)C(=O)OC
InChI
InChI=1S/C6H8N2O2S/c1-3-4(5(9)10-2)8-6(7)11-3/h1-2H3,(H2,7,8)
InChIKey
ZPFCEYUYBJVUED-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

176
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 133.6
[M+Na]+ 195.019868 143.4
[M-H]- 171.023374 136.6
[M+NH4]+ 190.064473 154.9
[M+K]+ 210.993808 141.8
[M+H-H2O]+ 155.027910 127.9
[M+HCOO]- 217.028851 153.2
[M+CH3COO]- 231.044501 178.6
[M+Na-2H]- 193.005316 134.5
[M]+ 172.03010142 136.4
[M]- 172.03119858 136.4
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