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

10
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

literature stripe

Patent stripe

patents stripe