CID 11971035

88636-86-6

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CC1(COC(=O)N(C1=O)C)C2=CC=CC=C2

InChI

InChI=1S/C12H13NO3/c1-12(9-6-4-3-5-7-9)8-16-11(15)13(2)10(12)14/h3-7H,8H2,1-2H3

InChIKey

HXWWPMOCKQTPAC-UHFFFAOYSA-N

Compound name

3,5-dimethyl-5-phenyl-1,3-oxazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.08954 Da
Monoisotopic Mass: 1.7
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]+	220.096816	145.2
[M+Na]+	242.078758	154.1
[M-H]-	218.082264	151.7
[M+NH4]+	237.123363	163.2
[M+K]+	258.052698	153.0
[M+H-H2O]+	202.086800	138.3
[M+HCOO]-	264.087741	164.9
[M+CH3COO]-	278.103391	187.2
[M+Na-2H]-	240.064206	151.5
[M]+	219.08899142	145.0
[M]-	219.09008858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe