CID 14241652

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

Structural Information

Molecular Formula
C3H3N3O2S
SMILES
C1(=NN=C(S1)N)C(=O)O
InChI
InChI=1S/C3H3N3O2S/c4-3-6-5-1(9-3)2(7)8/h(H2,4,6)(H,7,8)
InChIKey
PYUJXSWVAHMPEK-UHFFFAOYSA-N
Compound name
5-amino-1,3,4-thiadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

144.9946 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00188 124.6
[M+Na]+ 167.98382 134.3
[M-H]- 143.98732 124.8
[M+NH4]+ 163.02842 144.5
[M+K]+ 183.95776 132.4
[M+H-H2O]+ 127.99186 118.4
[M+HCOO]- 189.99280 142.4
[M+CH3COO]- 204.00845 169.3
[M+Na-2H]- 165.96927 127.0
[M]+ 144.99405 124.5
[M]- 144.99515 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