CID 135446412

503469-36-1

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

C1=CC(=CC(=C1)N)C2=NOC(=O)N2

InChI

InChI=1S/C8H7N3O2/c9-6-3-1-2-5(4-6)7-10-8(12)13-11-7/h1-4H,9H2,(H,10,11,12)

InChIKey

ULMIGPCOQATGHG-UHFFFAOYSA-N

Compound name

3-(3-aminophenyl)-4H-1,2,4-oxadiazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 177.05383 Da
Monoisotopic Mass: 0.7
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]+	178.06111	134.3
[M+Na]+	200.04305	147.1
[M+NH4]+	195.08765	141.4
[M+K]+	216.01699	144.3
[M-H]-	176.04655	137.6
[M+Na-2H]-	198.02850	141.3
[M]+	177.05328	136.8
[M]-	177.05438	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe