CID 568876

(4-pentylcyclohexyl)benzene

Structural Information

Molecular Formula
C17H26
SMILES
CCCCCC1CCC(CC1)C2=CC=CC=C2
InChI
InChI=1S/C17H26/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-10,15,17H,2-3,5,8,11-14H2,1H3
InChIKey
FCAWXWGFZYRQJZ-UHFFFAOYSA-N
Compound name
(4-pentylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

230.20345 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.21073 158.9
[M+Na]+ 253.19267 172.0
[M+NH4]+ 248.23727 169.0
[M+K]+ 269.16661 162.2
[M-H]- 229.19617 164.5
[M+Na-2H]- 251.17812 167.0
[M]+ 230.20290 162.5
[M]- 230.20400 162.5
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

patents stripe