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 139.4
[M+Na]+ 224.99404 148.5
[M-H]- 200.99754 139.9
[M+NH4]+ 220.03864 157.4
[M+K]+ 240.96798 147.4
[M+H-H2O]+ 185.00208 133.2
[M+HCOO]- 247.00302 155.6
[M+CH3COO]- 261.01867 177.6
[M+Na-2H]- 222.97949 140.1
[M]+ 202.00427 143.7
[M]- 202.00537 143.7
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.