CID 68318890

Sodium 5-(pyridin-2-yl)-1,3,4-thiadiazole-2-carboxylate

Structural Information

Molecular Formula
C8H5N3O2S
SMILES
C1=CC=NC(=C1)C2=NN=C(S2)C(=O)O
InChI
InChI=1S/C8H5N3O2S/c12-8(13)7-11-10-6(14-7)5-3-1-2-4-9-5/h1-4H,(H,12,13)
InChIKey
VBGWBAOCTLZRGF-UHFFFAOYSA-N
Compound name
5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

207.01025 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01753 141.3
[M+Na]+ 229.99947 153.8
[M+NH4]+ 225.04407 148.5
[M+K]+ 245.97341 148.7
[M-H]- 206.00297 142.4
[M+Na-2H]- 227.98492 148.1
[M]+ 207.00970 143.6
[M]- 207.01080 143.6
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