CID 15713

Decylcyclohexane

Structural Information

Molecular Formula

C₁₆H₃₂

SMILES

CCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C16H32/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h16H,2-15H2,1H3

InChIKey

STWFZICHPLEOIC-UHFFFAOYSA-N

Compound name

decylcyclohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1988
Patents: 224.2504 Da
Monoisotopic Mass: 8.4
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]+	225.25768	161.6
[M+Na]+	247.23962	162.9
[M-H]-	223.24312	162.7
[M+NH4]+	242.28422	179.6
[M+K]+	263.21356	160.0
[M+H-H2O]+	207.24766	154.8
[M+HCOO]-	269.24860	179.4
[M+CH3COO]-	283.26425	193.9
[M+Na-2H]-	245.22507	162.9
[M]+	224.24985	159.7
[M]-	224.25095	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe