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]+ 173.037926 133.7
[M+Na]+ 195.019868 142.6
[M-H]- 171.023374 136.8
[M+NH4]+ 190.064473 155.0
[M+K]+ 210.993808 141.4
[M+H-H2O]+ 155.027910 127.6
[M+HCOO]- 217.028851 154.0
[M+CH3COO]- 231.044501 178.1
[M+Na-2H]- 193.005316 136.2
[M]+ 172.03010142 137.0
[M]- 172.03119858 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