CID 11805210

Ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CCOC(=O)C1=NC(=NS1)C
InChI
InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-7-4(2)8-11-5/h3H2,1-2H3
InChIKey
ZYVYMUYJEAVYOC-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

172.03065 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.037926 133.5
[M+Na]+ 195.019868 143.5
[M-H]- 171.023374 135.4
[M+NH4]+ 190.064473 153.9
[M+K]+ 210.993808 142.5
[M+H-H2O]+ 155.027910 127.2
[M+HCOO]- 217.028851 151.7
[M+CH3COO]- 231.044501 176.0
[M+Na-2H]- 193.005316 135.4
[M]+ 172.03010142 138.2
[M]- 172.03119858 138.2
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