CID 22432121

Ethyl 5-(pyridin-4-yl)-1,3,4-oxadiazole-2-carboxylate

Structural Information

Molecular Formula
C10H9N3O3
SMILES
CCOC(=O)C1=NN=C(O1)C2=CC=NC=C2
InChI
InChI=1S/C10H9N3O3/c1-2-15-10(14)9-13-12-8(16-9)7-3-5-11-6-4-7/h3-6H,2H2,1H3
InChIKey
FAKFDZBAFPGQEV-UHFFFAOYSA-N
Compound name
ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06439 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 145.6
[M+Na]+ 242.05361 158.6
[M+NH4]+ 237.09821 151.8
[M+K]+ 258.02755 155.8
[M-H]- 218.05711 147.6
[M+Na-2H]- 240.03906 152.4
[M]+ 219.06384 147.8
[M]- 219.06494 147.8
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.