CID 23145170

Lithium 1,2,4-thiadiazole-5-carboxylate

Structural Information

Molecular Formula
C3H2N2O2S
SMILES
C1=NSC(=N1)C(=O)O
InChI
InChI=1S/C3H2N2O2S/c6-3(7)2-4-1-5-8-2/h1H,(H,6,7)
InChIKey
ZYTGVJRWEWYIKM-UHFFFAOYSA-N
Compound name
1,2,4-thiadiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

129.9837 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.99098 120.9
[M+Na]+ 152.97292 130.8
[M-H]- 128.97642 121.5
[M+NH4]+ 148.01752 141.9
[M+K]+ 168.94686 129.6
[M+H-H2O]+ 112.98096 115.1
[M+HCOO]- 174.98190 138.6
[M+CH3COO]- 188.99755 164.0
[M+Na-2H]- 150.95837 124.5
[M]+ 129.98315 122.3
[M]- 129.98425 122.3
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