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

26
Patents

172.03065 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 133.5
[M+Na]+ 195.01987 143.5
[M-H]- 171.02337 135.4
[M+NH4]+ 190.06447 153.9
[M+K]+ 210.99381 142.5
[M+H-H2O]+ 155.02791 127.2
[M+HCOO]- 217.02885 151.7
[M+CH3COO]- 231.04450 176.0
[M+Na-2H]- 193.00532 135.4
[M]+ 172.03010 138.2
[M]- 172.03120 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