CID 3045307

91957-91-4

Structural Information

Molecular Formula
C13H15NO3
SMILES
CCCC1(COC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H15NO3/c1-2-8-13(10-6-4-3-5-7-10)9-17-12(16)14-11(13)15/h3-7H,2,8-9H2,1H3,(H,14,15,16)
InChIKey
OXGMXCVSGDLPIJ-UHFFFAOYSA-N
Compound name
5-phenyl-5-propyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 151.5
[M+Na]+ 256.09442 158.5
[M-H]- 232.09792 155.9
[M+NH4]+ 251.13902 167.8
[M+K]+ 272.06836 156.2
[M+H-H2O]+ 216.10246 144.3
[M+HCOO]- 278.10340 169.3
[M+CH3COO]- 292.11905 186.5
[M+Na-2H]- 254.07987 157.3
[M]+ 233.10465 149.3
[M]- 233.10575 149.3
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.