CID 97746

Gamma-tetradecalactone

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CCCCCCCCCCC1CCC(=O)O1

InChI

InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h13H,2-12H2,1H3

InChIKey

AGNLJNRENXLLQO-UHFFFAOYSA-N

Compound name

5-decyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 278
Patents: 226.19328 Da
Monoisotopic Mass: 4.9
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]+	227.200556	158.1
[M+Na]+	249.182498	162.5
[M-H]-	225.186004	160.8
[M+NH4]+	244.227103	176.8
[M+K]+	265.156438	161.2
[M+H-H2O]+	209.190540	152.2
[M+HCOO]-	271.191481	178.5
[M+CH3COO]-	285.207131	191.5
[M+Na-2H]-	247.167946	159.6
[M]+	226.19273142	160.8
[M]-	226.19382858	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe