CID 3063407

100718-49-8

Structural Information

Molecular Formula
C14H17NO3
SMILES
CCCCC1(COC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H17NO3/c1-2-3-9-14(11-7-5-4-6-8-11)10-18-13(17)15-12(14)16/h4-8H,2-3,9-10H2,1H3,(H,15,16,17)
InChIKey
NCQQMVHBXYTOLB-UHFFFAOYSA-N
Compound name
5-butyl-5-phenyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.0
[M+Na]+ 270.11007 162.5
[M-H]- 246.11357 160.2
[M+NH4]+ 265.15467 171.7
[M+K]+ 286.08401 160.0
[M+H-H2O]+ 230.11811 148.6
[M+HCOO]- 292.11905 173.4
[M+CH3COO]- 306.13470 189.5
[M+Na-2H]- 268.09552 161.3
[M]+ 247.12030 154.2
[M]- 247.12140 154.2
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.