CID 115727

64047-04-7

Structural Information

Molecular Formula
C14H17NO3
SMILES
CCCCCC1(C(=O)NC(=O)O1)C2=CC=CC=C2
InChI
InChI=1S/C14H17NO3/c1-2-3-7-10-14(11-8-5-4-6-9-11)12(16)15-13(17)18-14/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16,17)
InChIKey
SVRUAQSFFVAKQJ-UHFFFAOYSA-N
Compound name
5-pentyl-5-phenyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

247.12085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 155.2
[M+Na]+ 270.11007 162.6
[M-H]- 246.11357 159.8
[M+NH4]+ 265.15467 172.9
[M+K]+ 286.08401 159.9
[M+H-H2O]+ 230.11811 148.7
[M+HCOO]- 292.11905 174.9
[M+CH3COO]- 306.13470 189.0
[M+Na-2H]- 268.09552 159.1
[M]+ 247.12030 155.5
[M]- 247.12140 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.