CID 207517

2h-1,2,4-oxadiazin-3(4h)-one, dihydro-4-methyl-2-phenyl-

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CN1CCON(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C10H12N2O2/c1-11-7-8-14-12(10(11)13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

AQKDLCLPZJPBNV-UHFFFAOYSA-N

Compound name

4-methyl-2-phenyl-1,2,4-oxadiazinan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.08987 Da
Monoisotopic Mass: 1.1
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]+	193.097146	141.0
[M+Na]+	215.079088	148.5
[M-H]-	191.082594	145.4
[M+NH4]+	210.123693	156.3
[M+K]+	231.053028	147.3
[M+H-H2O]+	175.087130	132.6
[M+HCOO]-	237.088071	159.5
[M+CH3COO]-	251.103721	181.9
[M+Na-2H]-	213.064536	147.5
[M]+	192.08932142	138.9
[M]-	192.09041858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.