CID 75695

Cyclohexadecanone

Structural Information

Molecular Formula

C₁₆H₃₀O

SMILES

C1CCCCCCCC(=O)CCCCCCC1

InChI

InChI=1S/C16H30O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-15H2

InChIKey

LXJDKGYSHYYKFJ-UHFFFAOYSA-N

Compound name

cyclohexadecanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2545
Patents: 238.22966 Da
Monoisotopic Mass: 6.4
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]+	239.23694	159.5
[M+Na]+	261.21888	158.9
[M-H]-	237.22238	159.5
[M+NH4]+	256.26348	173.1
[M+K]+	277.19282	157.6
[M+H-H2O]+	221.22692	156.2
[M+HCOO]-	283.22786	173.2
[M+CH3COO]-	297.24351	182.9
[M+Na-2H]-	259.20433	158.7
[M]+	238.22911	145.0
[M]-	238.23021	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.