CID 11971036

L 1612

Structural Information

Molecular Formula
C12H13NO3
SMILES
CCC1(COC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H13NO3/c1-2-12(9-6-4-3-5-7-9)8-16-11(15)13-10(12)14/h3-7H,2,8H2,1H3,(H,13,14,15)
InChIKey
XQJDCXKZNIXNJF-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 147.0
[M+Na]+ 242.07876 154.4
[M-H]- 218.08226 151.6
[M+NH4]+ 237.12336 163.8
[M+K]+ 258.05270 152.4
[M+H-H2O]+ 202.08680 140.0
[M+HCOO]- 264.08774 165.1
[M+CH3COO]- 278.10339 183.5
[M+Na-2H]- 240.06421 153.3
[M]+ 219.08899 144.4
[M]- 219.09009 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.