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

4789
Patents

168.1878 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.