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
1
Annotation Hits

0
References

2
Patents

174.00992 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01720 135.0
[M+Na]+ 196.99914 144.7
[M+NH4]+ 192.04374 141.6
[M+K]+ 212.97308 140.9
[M-H]- 173.00264 133.6
[M+Na-2H]- 194.98459 138.0
[M]+ 174.00937 136.0
[M]- 174.01047 136.0
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

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