CID 15715

Tetradecylcyclohexane

Structural Information

Molecular Formula

C₂₀H₄₀

SMILES

CCCCCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-19H2,1H3

InChIKey

NQAVPKIJZCHUNS-UHFFFAOYSA-N

Compound name

tetradecylcyclohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 287
Patents: 280.313 Da
Monoisotopic Mass: 10.5
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]+	281.32028	179.5
[M+Na]+	303.30222	179.0
[M-H]-	279.30572	179.7
[M+NH4]+	298.34682	195.2
[M+K]+	319.27616	175.0
[M+H-H2O]+	263.31026	171.8
[M+HCOO]-	325.31120	195.9
[M+CH3COO]-	339.32685	205.9
[M+Na-2H]-	301.28767	178.6
[M]+	280.31245	179.0
[M]-	280.31355	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe