CID 17901

2-cyclohexyloctane

Structural Information

Molecular Formula
C14H28
SMILES
CCCCCCC(C)C1CCCCC1
InChI
InChI=1S/C14H28/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h13-14H,3-12H2,1-2H3
InChIKey
IRKYBYIUHWZQGP-UHFFFAOYSA-N
Compound name
octan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

196.2191 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.22638 153.1
[M+Na]+ 219.20832 155.0
[M-H]- 195.21182 154.7
[M+NH4]+ 214.25292 172.2
[M+K]+ 235.18226 153.0
[M+H-H2O]+ 179.21636 146.8
[M+HCOO]- 241.21730 170.6
[M+CH3COO]- 255.23295 188.6
[M+Na-2H]- 217.19377 154.3
[M]+ 196.21855 149.8
[M]- 196.21965 149.8
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.