CID 13577102

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

Structural Information

Molecular Formula
C4H5N3O2S
SMILES
COC(=O)C1=NSC(=N1)N
InChI
InChI=1S/C4H5N3O2S/c1-9-3(8)2-6-4(5)10-7-2/h1H3,(H2,5,6,7)
InChIKey
HUTKBOFGPQYVEI-UHFFFAOYSA-N
Compound name
methyl 5-amino-1,2,4-thiadiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

159.01025 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.01753 128.8
[M+Na]+ 181.99947 138.7
[M-H]- 158.00297 130.3
[M+NH4]+ 177.04407 149.0
[M+K]+ 197.97341 137.5
[M+H-H2O]+ 142.00751 122.3
[M+HCOO]- 204.00845 147.9
[M+CH3COO]- 218.02410 174.2
[M+Na-2H]- 179.98492 131.2
[M]+ 159.00970 130.9
[M]- 159.01080 130.9
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