CID 7984

16-hexadecanolide

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

C1CCCCCCCC(=O)OCCCCCCC1

InChI

InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2

InChIKey

LOKPJYNMYCVCRM-UHFFFAOYSA-N

Compound name

oxacycloheptadecan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 10
References: 5557
Patents: 254.22458 Da
Monoisotopic Mass: 6.3
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]+	255.23186	162.1
[M+Na]+	277.21380	170.5
[M+NH4]+	272.25840	169.4
[M+K]+	293.18774	163.7
[M-H]-	253.21730	167.0
[M+Na-2H]-	275.19925	166.8
[M]+	254.22403	164.1
[M]-	254.22513	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe