CID 115733

64047-07-0

Structural Information

Molecular Formula
C13H15NO3
SMILES
CCCCC1(C(=O)NC(=O)O1)C2=CC=CC=C2
InChI
InChI=1S/C13H15NO3/c1-2-3-9-13(10-7-5-4-6-8-10)11(15)14-12(16)17-13/h4-8H,2-3,9H2,1H3,(H,14,15,16)
InChIKey
OJQVXMZAZUKVNH-UHFFFAOYSA-N
Compound name
5-butyl-5-phenyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 150.7
[M+Na]+ 256.09442 158.5
[M-H]- 232.09792 155.4
[M+NH4]+ 251.13902 168.9
[M+K]+ 272.06836 156.1
[M+H-H2O]+ 216.10246 144.4
[M+HCOO]- 278.10340 170.7
[M+CH3COO]- 292.11905 186.0
[M+Na-2H]- 254.07987 155.1
[M]+ 233.10465 150.6
[M]- 233.10575 150.6
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.