CID 165475625

En300-844252

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]+ 230.09241 142.3
[M+Na]+ 252.07435 150.1
[M-H]- 228.07785 148.7
[M+NH4]+ 247.11895 150.2
[M+K]+ 268.04829 151.0
[M+H-H2O]+ 212.08239 128.2
[M+HCOO]- 274.08333 162.1
[M+CH3COO]- 288.09898 191.1
[M+Na-2H]- 250.05980 147.6
[M]+ 229.08458 152.1
[M]- 229.08568 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.