CID 115753

64047-24-1

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CCCC1(C(=O)NC(=O)O1)C2=CC=CC=C2

InChI

InChI=1S/C12H13NO3/c1-2-8-12(9-6-4-3-5-7-9)10(14)13-11(15)16-12/h3-7H,2,8H2,1H3,(H,13,14,15)

InChIKey

XFEGMKAZXJAGRJ-UHFFFAOYSA-N

Compound name

5-phenyl-5-propyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 219.08954 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.09682	146.1
[M+Na]+	242.07876	154.4
[M-H]-	218.08226	151.1
[M+NH4]+	237.12336	164.9
[M+K]+	258.05270	152.2
[M+H-H2O]+	202.08680	140.0
[M+HCOO]-	264.08774	166.5
[M+CH3COO]-	278.10339	183.0
[M+Na-2H]-	240.06421	151.0
[M]+	219.08899	145.7
[M]-	219.09009	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe