CID 98128

47165-57-1

Structural Information

Molecular Formula

C₁₈H₃₂O₃

SMILES

CCCCCCCCCCCCCCC1CC(=O)OC1=O

InChI

InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h16H,2-15H2,1H3

InChIKey

BZECBEKZECEQRI-UHFFFAOYSA-N

Compound name

3-tetradecyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1372
Patents: 296.23514 Da
Monoisotopic Mass: 7.0
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]+	297.24242	176.7
[M+Na]+	319.22436	184.7
[M+NH4]+	314.26896	182.6
[M+K]+	335.19830	179.2
[M-H]-	295.22786	177.8
[M+Na-2H]-	317.20981	176.8
[M]+	296.23459	177.8
[M]-	296.23569	177.8

Literature stripe

literature stripe

Patent stripe

patents stripe