CID 520296

Delta-tetradecalactone

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CCCCCCCCCC1CCCC(=O)O1

InChI

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

InChIKey

SKQYTJLYRIFFCO-UHFFFAOYSA-N

Compound name

6-nonyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3
References: 939
Patents: 226.19328 Da
Monoisotopic Mass: 4.7
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	157.2
[M+Na]+	249.182498	160.6
[M-H]-	225.186004	159.7
[M+NH4]+	244.227103	174.1
[M+K]+	265.156438	159.5
[M+H-H2O]+	209.190540	150.7
[M+HCOO]-	271.191481	175.5
[M+CH3COO]-	285.207131	191.8
[M+Na-2H]-	247.167946	160.0
[M]+	226.19273142	157.8
[M]-	226.19382858	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe