CID 165475625

5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C12H11N3O2
SMILES
C1CC(C1)C2=NC(=NO2)C3=CN=CC(=C3)C=O
InChI
InChI=1S/C12H11N3O2/c16-7-8-4-10(6-13-5-8)11-14-12(17-15-11)9-2-1-3-9/h4-7,9H,1-3H2
InChIKey
ODCCKELCQONUSY-UHFFFAOYSA-N
Compound name
5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.092406 142.3
[M+Na]+ 252.074348 150.1
[M-H]- 228.077854 148.7
[M+NH4]+ 247.118953 150.2
[M+K]+ 268.048288 151.0
[M+H-H2O]+ 212.082390 128.2
[M+HCOO]- 274.083331 162.1
[M+CH3COO]- 288.098981 191.1
[M+Na-2H]- 250.059796 147.6
[M]+ 229.08458142 152.1
[M]- 229.08567858 152.1
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.