CID 15712

N-octylcyclohexane

Structural Information

Molecular Formula
C14H28
SMILES
CCCCCCCCC1CCCCC1
InChI
InChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3
InChIKey
FBXWCEKQCVOOLT-UHFFFAOYSA-N
Compound name
octylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

800
Patents

196.2191 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.22638 152.1
[M+Na]+ 219.20832 162.4
[M+NH4]+ 214.25292 161.4
[M+K]+ 235.18226 153.6
[M-H]- 195.21182 154.9
[M+Na-2H]- 217.19377 156.9
[M]+ 196.21855 154.3
[M]- 196.21965 154.3
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