CID 251763

4-amino-1,2,5-thiadiazole-3-carboxylic acid

Structural Information

Molecular Formula
C3H3N3O2S
SMILES
C1(=NSN=C1N)C(=O)O
InChI
InChI=1S/C3H3N3O2S/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
InChIKey
OJMKAQZLZNNVTG-UHFFFAOYSA-N
Compound name
4-amino-1,2,5-thiadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

89
Patents

144.9946 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00188 126.1
[M+Na]+ 167.98382 135.1
[M+NH4]+ 163.02842 132.9
[M+K]+ 183.95776 132.0
[M-H]- 143.98732 125.3
[M+Na-2H]- 165.96927 129.4
[M]+ 144.99405 127.1
[M]- 144.99515 127.1
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