CID 10220190

4-decyloxazolidin-2-one

Structural Information

Molecular Formula

C₁₃H₂₅NO₂

SMILES

CCCCCCCCCCC1COC(=O)N1

InChI

InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-12-11-16-13(15)14-12/h12H,2-11H2,1H3,(H,14,15)

InChIKey

IUWVYVOQTFVXKL-UHFFFAOYSA-N

Compound name

4-decyl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 648
Patents: 227.18852 Da
Monoisotopic Mass: 4.8
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]+	228.19580	158.1
[M+Na]+	250.17774	162.4
[M-H]-	226.18124	158.0
[M+NH4]+	245.22234	174.7
[M+K]+	266.15168	160.4
[M+H-H2O]+	210.18578	151.3
[M+HCOO]-	272.18672	175.9
[M+CH3COO]-	286.20237	188.5
[M+Na-2H]-	248.16319	159.5
[M]+	227.18797	159.0
[M]-	227.18907	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe