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

136
Patents

144.9946 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.001876 124.6
[M+Na]+ 167.983818 134.3
[M-H]- 143.987324 124.8
[M+NH4]+ 163.028423 144.5
[M+K]+ 183.957758 132.4
[M+H-H2O]+ 127.991860 118.4
[M+HCOO]- 189.992801 142.4
[M+CH3COO]- 204.008451 169.3
[M+Na-2H]- 165.969266 127.0
[M]+ 144.99405142 124.5
[M]- 144.99514858 124.5
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