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]+ 197.226376 153.1
[M+Na]+ 219.208318 155.0
[M-H]- 195.211824 154.7
[M+NH4]+ 214.252923 172.2
[M+K]+ 235.182258 153.0
[M+H-H2O]+ 179.216360 146.8
[M+HCOO]- 241.217301 170.6
[M+CH3COO]- 255.232951 188.6
[M+Na-2H]- 217.193766 154.3
[M]+ 196.21855142 149.8
[M]- 196.21964858 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