CID 116376

64047-09-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CCCCC1(C(=O)NC(=O)O1)CCCC

InChI

InChI=1S/C11H19NO3/c1-3-5-7-11(8-6-4-2)9(13)12-10(14)15-11/h3-8H2,1-2H3,(H,12,13,14)

InChIKey

VYKGBZGKJUMSLG-UHFFFAOYSA-N

Compound name

5,5-dibutyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.13649 Da
Monoisotopic Mass: 3.0
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]+	214.14377	147.6
[M+Na]+	236.12571	154.8
[M-H]-	212.12921	148.7
[M+NH4]+	231.17031	167.0
[M+K]+	252.09965	153.4
[M+H-H2O]+	196.13375	142.6
[M+HCOO]-	258.13469	166.6
[M+CH3COO]-	272.15034	184.4
[M+Na-2H]-	234.11116	151.0
[M]+	213.13594	149.3
[M]-	213.13704	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe