CID 589731

84656-77-9

Structural Information

Molecular Formula
C24H38
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)CCC
InChI
InChI=1S/C24H38/c1-3-5-19-7-11-21(12-8-19)23-15-17-24(18-16-23)22-13-9-20(6-4-2)10-14-22/h7-8,11-12,20,22-24H,3-6,9-10,13-18H2,1-2H3
InChIKey
WQGMAFRSIHBDRV-UHFFFAOYSA-N
Compound name
1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

326.29736 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.30464 186.5
[M+Na]+ 349.28658 186.6
[M-H]- 325.29008 193.2
[M+NH4]+ 344.33118 199.9
[M+K]+ 365.26052 180.9
[M+H-H2O]+ 309.29462 176.9
[M+HCOO]- 371.29556 200.0
[M+CH3COO]- 385.31121 213.3
[M+Na-2H]- 347.27203 183.1
[M]+ 326.29681 178.6
[M]- 326.29791 178.6
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