CID 18605131

84656-76-8

Structural Information

Molecular Formula
C23H36
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)CC
InChI
InChI=1S/C23H36/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-7,10-11,19,21-23H,3-5,8-9,12-17H2,1-2H3
InChIKey
PNEGGJHLXGCZNS-UHFFFAOYSA-N
Compound name
1-ethyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

312.2817 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.28898 182.1
[M+Na]+ 335.27092 182.6
[M-H]- 311.27442 189.0
[M+NH4]+ 330.31552 196.1
[M+K]+ 351.24486 177.1
[M+H-H2O]+ 295.27896 172.7
[M+HCOO]- 357.27990 196.0
[M+CH3COO]- 371.29555 210.3
[M+Na-2H]- 333.25637 179.3
[M]+ 312.28115 173.9
[M]- 312.28225 173.9
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

No patent data available for this compound.