CID 5006618

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

Structural Information

Molecular Formula
C5H7N3O2S
SMILES
CCOC(=O)C1=C(N=NS1)N
InChI
InChI=1S/C5H7N3O2S/c1-2-10-5(9)3-4(6)7-8-11-3/h2,6H2,1H3
InChIKey
BPWCAQZWPGHKDU-UHFFFAOYSA-N
Compound name
ethyl 4-aminothiadiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0259 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03318 134.9
[M+Na]+ 196.01512 144.0
[M+NH4]+ 191.05972 141.7
[M+K]+ 211.98906 140.1
[M-H]- 172.01862 134.5
[M+Na-2H]- 194.00057 138.3
[M]+ 173.02535 136.1
[M]- 173.02645 136.1
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

No patent data available for this compound.