CID 115747

64047-21-8

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CCCCCCCCCC1(C(=O)NC(=O)O1)C

InChI

InChI=1S/C13H23NO3/c1-3-4-5-6-7-8-9-10-13(2)11(15)14-12(16)17-13/h3-10H2,1-2H3,(H,14,15,16)

InChIKey

ZLEVAGAZYUQKTR-UHFFFAOYSA-N

Compound name

5-methyl-5-nonyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 241.1678 Da
Monoisotopic Mass: 4.3
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]+	242.17508	156.6
[M+Na]+	264.15702	163.0
[M-H]-	240.16052	157.3
[M+NH4]+	259.20162	174.9
[M+K]+	280.13096	161.1
[M+H-H2O]+	224.16506	151.3
[M+HCOO]-	286.16600	174.9
[M+CH3COO]-	300.18165	190.4
[M+Na-2H]-	262.14247	159.0
[M]+	241.16725	159.0
[M]-	241.16835	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe