CID 131555201

Potassium 5-(ethoxycarbonyl)-1,3,4-thiadiazole-2-carboxylate

Structural Information

Molecular Formula
C6H6N2O4S
SMILES
CCOC(=O)C1=NN=C(S1)C(=O)O
InChI
InChI=1S/C6H6N2O4S/c1-2-12-6(11)4-8-7-3(13-4)5(9)10/h2H2,1H3,(H,9,10)
InChIKey
CIHMYZFIZQHNPV-UHFFFAOYSA-N
Compound name
5-ethoxycarbonyl-1,3,4-thiadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00482 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01210 142.2
[M+Na]+ 224.99404 150.8
[M+NH4]+ 220.03864 147.6
[M+K]+ 240.96798 148.1
[M-H]- 200.99754 139.7
[M+Na-2H]- 222.97949 144.1
[M]+ 202.00427 142.6
[M]- 202.00537 142.6
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

No patent data available for this compound.