CID 110976

7370-44-7

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CCCCCCCCCCCC1CCCC(=O)O1

InChI

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

InChIKey

ZMJKQSSFLIFELJ-UHFFFAOYSA-N

Compound name

6-undecyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 234
Patents: 254.22458 Da
Monoisotopic Mass: 5.8
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	165.6
[M+Na]+	277.21380	175.3
[M+NH4]+	272.25840	173.0
[M+K]+	293.18774	167.5
[M-H]-	253.21730	168.4
[M+Na-2H]-	275.19925	168.2
[M]+	254.22403	167.6
[M]-	254.22513	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe