CID 20283

Hexylcyclohexane

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

CCCCCCC1CCCCC1

InChI

InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3

InChIKey

QHWAQXOSHHKCFK-UHFFFAOYSA-N

Compound name

hexylcyclohexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 5272
Patents: 168.1878 Da
Monoisotopic Mass: 6.2
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]+	169.19508	143.5
[M+Na]+	191.17702	146.4
[M-H]-	167.18052	145.4
[M+NH4]+	186.22162	163.8
[M+K]+	207.15096	144.6
[M+H-H2O]+	151.18506	137.4
[M+HCOO]-	213.18600	162.6
[M+CH3COO]-	227.20165	181.8
[M+Na-2H]-	189.16247	147.0
[M]+	168.18725	140.1
[M]-	168.18835	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe