CID 11971105

L 2043

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCCCC1(COC(=O)N(C1=O)C)C2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-3-4-10-15(12-8-6-5-7-9-12)11-19-14(18)16(2)13(15)17/h5-9H,3-4,10-11H2,1-2H3
InChIKey
WIVMCJGETCGQOG-UHFFFAOYSA-N
Compound name
5-butyl-3-methyl-5-phenyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 159.0
[M+Na]+ 284.12572 166.5
[M-H]- 260.12922 164.9
[M+NH4]+ 279.17032 175.2
[M+K]+ 300.09966 164.7
[M+H-H2O]+ 244.13376 151.4
[M+HCOO]- 306.13470 177.6
[M+CH3COO]- 320.15035 196.2
[M+Na-2H]- 282.11117 163.6
[M]+ 261.13595 159.8
[M]- 261.13705 159.8
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.