CID 6455482

5-ethoxy-1,2,4-thiadiazole-3-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O3S
SMILES
CCOC1=NC(=NS1)C(=O)O
InChI
InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)
InChIKey
ACVXWOLXADMINA-UHFFFAOYSA-N
Compound name
5-ethoxy-1,2,4-thiadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

174.00992 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.017196 132.4
[M+Na]+ 196.999138 142.1
[M-H]- 173.002644 133.0
[M+NH4]+ 192.043743 151.8
[M+K]+ 212.973078 140.8
[M+H-H2O]+ 157.007180 126.3
[M+HCOO]- 219.008121 149.6
[M+CH3COO]- 233.023771 173.1
[M+Na-2H]- 194.984586 134.5
[M]+ 174.00937142 136.3
[M]- 174.01046858 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe