CID 112849

62501-39-7

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

C1C(=NNC(=O)O1)C2=CC=CC=C2

InChI

InChI=1S/C9H8N2O2/c12-9-11-10-8(6-13-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)

InChIKey

RUWHMZIBEYGMPG-UHFFFAOYSA-N

Compound name

5-phenyl-3,6-dihydro-1,3,4-oxadiazin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 451
Patents: 176.05858 Da
Monoisotopic Mass: 1.5
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]+	177.06586	136.1
[M+Na]+	199.04780	150.1
[M+NH4]+	194.09240	143.9
[M+K]+	215.02174	144.1
[M-H]-	175.05130	139.8
[M+Na-2H]-	197.03325	144.0
[M]+	176.05803	139.0
[M]-	176.05913	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe