CID 9793914

61690-97-9

Structural Information

Molecular Formula

C₇H₅N₃O₂

SMILES

C1=CC(=CN=C1)C2=NNC(=O)O2

InChI

InChI=1S/C7H5N3O2/c11-7-10-9-6(12-7)5-2-1-3-8-4-5/h1-4H,(H,10,11)

InChIKey

ACOVQKCTAPHNPF-UHFFFAOYSA-N

Compound name

5-pyridin-3-yl-3H-1,3,4-oxadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 163.03818 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	164.04546	129.9
[M+Na]+	186.02740	143.9
[M+NH4]+	181.07200	137.0
[M+K]+	202.00134	140.7
[M-H]-	162.03090	132.3
[M+Na-2H]-	184.01285	137.8
[M]+	163.03763	132.4
[M]-	163.03873	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe