CID 112824

1-cyclohexyl-4-hexylbenzene

Structural Information

Molecular Formula
C18H28
SMILES
CCCCCCC1=CC=C(C=C1)C2CCCCC2
InChI
InChI=1S/C18H28/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h12-15,17H,2-11H2,1H3
InChIKey
ZVVKBAKPLNVTNG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-hexylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

244.2191 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.22638 162.2
[M+Na]+ 267.20832 164.9
[M-H]- 243.21182 167.0
[M+NH4]+ 262.25292 179.3
[M+K]+ 283.18226 160.7
[M+H-H2O]+ 227.21636 154.4
[M+HCOO]- 289.21730 180.9
[M+CH3COO]- 303.23295 196.3
[M+Na-2H]- 265.19377 164.3
[M]+ 244.21855 158.7
[M]- 244.21965 158.7
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