CID 568876

Trans-4-pentylcyclohexylbenzene

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

149
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 157.7
[M+Na]+ 253.19267 160.8
[M-H]- 229.19617 162.7
[M+NH4]+ 248.23727 175.3
[M+K]+ 269.16661 156.8
[M+H-H2O]+ 213.20071 150.1
[M+HCOO]- 275.20165 176.7
[M+CH3COO]- 289.21730 193.3
[M+Na-2H]- 251.17812 160.3
[M]+ 230.20290 153.8
[M]- 230.20400 153.8
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