CID 12792584

Methyl 5-(methylamino)thiazole-4-carboxylate

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CNC1=C(N=CS1)C(=O)OC
InChI
InChI=1S/C6H8N2O2S/c1-7-5-4(6(9)10-2)8-3-11-5/h3,7H,1-2H3
InChIKey
INQFUFJEKDAJER-UHFFFAOYSA-N
Compound name
methyl 5-(methylamino)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

172.03065 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 133.7
[M+Na]+ 195.01987 142.6
[M-H]- 171.02337 136.8
[M+NH4]+ 190.06447 155.0
[M+K]+ 210.99381 141.4
[M+H-H2O]+ 155.02791 127.6
[M+HCOO]- 217.02885 154.0
[M+CH3COO]- 231.04450 178.1
[M+Na-2H]- 193.00532 136.2
[M]+ 172.03010 137.0
[M]- 172.03120 137.0
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