CID 11971094

Unii-0c3f0bdc1v

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CC1(COC(=O)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H11NO3/c1-11(8-5-3-2-4-6-8)7-15-10(14)12-9(11)13/h2-6H,7H2,1H3,(H,12,13,14)

InChIKey

COMLJXAQYRAVIB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.0739 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]+	206.081176	142.4
[M+Na]+	228.063118	150.3
[M-H]-	204.066624	147.3
[M+NH4]+	223.107723	159.9
[M+K]+	244.037058	148.5
[M+H-H2O]+	188.071160	135.7
[M+HCOO]-	250.072101	160.9
[M+CH3COO]-	264.087751	180.5
[M+Na-2H]-	226.048566	149.3
[M]+	205.07335142	139.6
[M]-	205.07444858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe