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

2
Annotation Hits: 2
References: 2241
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	160.1
[M+Na]+	261.21888	168.7
[M+NH4]+	256.26348	168.0
[M+K]+	277.19282	160.9
[M-H]-	237.22238	164.0
[M+Na-2H]-	259.20433	165.4
[M]+	238.22911	161.8
[M]-	238.23021	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe