CID 518573

1227-51-6

Structural Information

Molecular Formula

C₁₈H₃₄O₂

SMILES

CCCCCCCCCCCCCC1CCCC(=O)O1

InChI

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

InChIKey

VVLRVPJYFLFSQG-UHFFFAOYSA-N

Compound name

6-tridecyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 173
Patents: 282.2559 Da
Monoisotopic Mass: 6.9
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]+	283.263176	175.5
[M+Na]+	305.245118	177.2
[M-H]-	281.248624	177.2
[M+NH4]+	300.289723	190.0
[M+K]+	321.219058	175.0
[M+H-H2O]+	265.253160	168.2
[M+HCOO]-	327.254101	192.4
[M+CH3COO]-	341.269751	203.9
[M+Na-2H]-	303.230566	176.1
[M]+	282.25535142	177.6
[M]-	282.25644858	177.6

Literature stripe

literature stripe

Patent stripe

patents stripe