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
3
Annotation Hits

1
References

2241
Patents

196.2191 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.226376 152.6
[M+Na]+ 219.208318 154.7
[M-H]- 195.211824 154.1
[M+NH4]+ 214.252923 171.7
[M+K]+ 235.182258 152.3
[M+H-H2O]+ 179.216360 146.1
[M+HCOO]- 241.217301 171.0
[M+CH3COO]- 255.232951 187.8
[M+Na-2H]- 217.193766 155.0
[M]+ 196.21855142 149.9
[M]- 196.21964858 149.9
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