CID 1831000

Ethyl 5-imino-2,5-dihydro-1,2,3-thiadiazole-4-carboxylate

Structural Information

Molecular Formula
C5H7N3O2S
SMILES
CCOC(=O)C1=C(SN=N1)N
InChI
InChI=1S/C5H7N3O2S/c1-2-10-5(9)3-4(6)11-8-7-3/h2,6H2,1H3
InChIKey
ZUGOHJWUTNKRMG-UHFFFAOYSA-N
Compound name
ethyl 5-aminothiadiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

23
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 133.2
[M+Na]+ 196.01512 142.6
[M-H]- 172.01862 134.6
[M+NH4]+ 191.05972 152.8
[M+K]+ 211.98906 141.2
[M+H-H2O]+ 156.02316 126.5
[M+HCOO]- 218.02410 152.0
[M+CH3COO]- 232.03975 177.2
[M+Na-2H]- 194.00057 135.1
[M]+ 173.02535 135.7
[M]- 173.02645 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe