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

5
Annotation Hits: 5
References: 183
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]+	255.231856	166.4
[M+Na]+	277.213798	168.9
[M-H]-	253.217304	168.5
[M+NH4]+	272.258403	182.1
[M+K]+	293.187738	167.3
[M+H-H2O]+	237.221840	159.5
[M+HCOO]-	299.222781	184.0
[M+CH3COO]-	313.238431	197.9
[M+Na-2H]-	275.199246	168.1
[M]+	254.22403142	167.7
[M]-	254.22512858	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe