CID 77153

Cyclotetradecanone

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

C1CCCCCCC(=O)CCCCCC1

InChI

InChI=1S/C14H26O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h1-13H2

InChIKey

FUGDHQXYVPQGLJ-UHFFFAOYSA-N

Compound name

cyclotetradecanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 407
Patents: 210.19836 Da
Monoisotopic Mass: 5.3
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]+	211.20564	151.0
[M+Na]+	233.18758	151.7
[M-H]-	209.19108	151.0
[M+NH4]+	228.23218	166.1
[M+K]+	249.16152	150.9
[M+H-H2O]+	193.19562	147.9
[M+HCOO]-	255.19656	166.3
[M+CH3COO]-	269.21221	178.9
[M+Na-2H]-	231.17303	151.7
[M]+	210.19781	138.3
[M]-	210.19891	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe