CID 10396

Gamma-stearolactone

Structural Information

Molecular Formula

C₁₈H₃₄O₂

SMILES

CCCCCCCCCCCCCCC1CCC(=O)O1

InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(19)20-17/h17H,2-16H2,1H3

InChIKey

GYDWWIHJZSCRGV-UHFFFAOYSA-N

Compound name

5-tetradecyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 201
Patents: 282.2559 Da
Monoisotopic Mass: 7.1
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]+	283.26318	175.1
[M+Na]+	305.24512	183.2
[M+NH4]+	300.28972	181.8
[M+K]+	321.21906	177.0
[M-H]-	281.24862	176.9
[M+Na-2H]-	303.23057	176.0
[M]+	282.25535	176.5
[M]-	282.25645	176.5

Literature stripe

literature stripe

Patent stripe

patents stripe