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]+ 220.071666 144.7
[M+Na]+ 242.053608 153.9
[M-H]- 218.057114 148.5
[M+NH4]+ 237.098213 159.2
[M+K]+ 258.027548 153.1
[M+H-H2O]+ 202.061650 135.7
[M+HCOO]- 264.062591 166.1
[M+CH3COO]- 278.078241 184.8
[M+Na-2H]- 240.039056 150.9
[M]+ 219.06384142 148.4
[M]- 219.06493858 148.4
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.