CID 543385

15-hexadecanolide

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CC1CCCCCCCCCCCCCC(=O)O1

InChI

InChI=1S/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h15H,2-14H2,1H3

InChIKey

GILZFLFJYUGJLX-UHFFFAOYSA-N

Compound name

16-methyl-oxacyclohexadecan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 86
Patents: 254.22458 Da
Monoisotopic Mass: 6.2
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	161.9
[M+Na]+	277.21380	162.4
[M-H]-	253.21730	163.0
[M+NH4]+	272.25840	174.0
[M+K]+	293.18774	162.6
[M+H-H2O]+	237.22184	158.9
[M+HCOO]-	299.22278	175.0
[M+CH3COO]-	313.23843	185.9
[M+Na-2H]-	275.19925	161.5
[M]+	254.22403	149.9
[M]-	254.22513	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe