CID 115741

2,4-oxazolidinedione, 5-isobutyl-5-phenyl-, sodium salt

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

CC(C)CC1(C(=O)NC(=O)O1)C2=CC=CC=C2

InChI

InChI=1S/C13H15NO3/c1-9(2)8-13(10-6-4-3-5-7-10)11(15)14-12(16)17-13/h3-7,9H,8H2,1-2H3,(H,14,15,16)

InChIKey

HISXSOUDAOUGOI-UHFFFAOYSA-N

Compound name

5-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.1052 Da
Monoisotopic Mass: 2.7
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]+	234.112476	150.9
[M+Na]+	256.094418	158.5
[M-H]-	232.097924	155.8
[M+NH4]+	251.139023	169.1
[M+K]+	272.068358	156.6
[M+H-H2O]+	216.102460	144.9
[M+HCOO]-	278.103401	169.9
[M+CH3COO]-	292.119051	186.9
[M+Na-2H]-	254.079866	154.1
[M]+	233.10465142	150.3
[M]-	233.10574858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe