CID 82652093

Potassium 5-ethyl-1,3,4-thiadiazole-2-carboxylate

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
CCC1=NN=C(S1)C(=O)O
InChI
InChI=1S/C5H6N2O2S/c1-2-3-6-7-4(10-3)5(8)9/h2H2,1H3,(H,8,9)
InChIKey
BMFLSPIHCSBCAX-UHFFFAOYSA-N
Compound name
5-ethyl-1,3,4-thiadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.015 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02228 131.7
[M+Na]+ 181.00422 141.9
[M+NH4]+ 176.04882 139.0
[M+K]+ 196.97816 137.7
[M-H]- 157.00772 130.9
[M+Na-2H]- 178.98967 135.2
[M]+ 158.01445 133.1
[M]- 158.01555 133.1
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

No patent data available for this compound.