CID 775636

4-(1,3,4-oxadiazol-2-yl)pyridine

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CN=CC=C1C2=NN=CO2
InChI
InChI=1S/C7H5N3O/c1-3-8-4-2-6(1)7-10-9-5-11-7/h1-5H
InChIKey
UTYDSRLFMRPPHP-UHFFFAOYSA-N
Compound name
2-pyridin-4-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

181
Patents

147.04326 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 125.1
[M+Na]+ 170.03248 134.8
[M-H]- 146.03598 128.7
[M+NH4]+ 165.07708 142.5
[M+K]+ 186.00642 133.9
[M+H-H2O]+ 130.04052 116.6
[M+HCOO]- 192.04146 147.9
[M+CH3COO]- 206.05711 139.4
[M+Na-2H]- 168.01793 134.8
[M]+ 147.04271 126.0
[M]- 147.04381 126.0
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

patents stripe