CID 71668451

Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CNC1=NC=C(S1)C(=O)OC
InChI
InChI=1S/C6H8N2O2S/c1-7-6-8-3-4(11-6)5(9)10-2/h3H,1-2H3,(H,7,8)
InChIKey
VMVNSABKEREPNI-UHFFFAOYSA-N
Compound name
methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.03065 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe