CID 134224

83395-43-1

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

CC(=O)N1C(NC(=O)CO1)C2=CC=CC=C2

InChI

InChI=1S/C11H12N2O3/c1-8(14)13-11(12-10(15)7-16-13)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H,12,15)

InChIKey

OHBHQSGWZURHMM-UHFFFAOYSA-N

Compound name

2-acetyl-3-phenyl-1,2,4-oxadiazinan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 220.0848 Da
Monoisotopic Mass: 0.5
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]+	221.09208	148.3
[M+Na]+	243.07402	155.0
[M-H]-	219.07752	151.3
[M+NH4]+	238.11862	161.6
[M+K]+	259.04796	153.0
[M+H-H2O]+	203.08206	140.0
[M+HCOO]-	265.08300	164.3
[M+CH3COO]-	279.09865	184.0
[M+Na-2H]-	241.05947	152.7
[M]+	220.08425	144.8
[M]-	220.08535	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe