CID 20539409

122957-72-6

Structural Information

Molecular Formula
C24H32
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCC
InChI
InChI=1S/C24H32/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/h7-8,11-12,15-18,20,22H,3-6,9-10,13-14H2,1-2H3
InChIKey
CJEBPJFYRIZZDW-UHFFFAOYSA-N
Compound name
1-propyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

320.2504 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.25768 182.4
[M+Na]+ 343.23962 185.7
[M-H]- 319.24312 190.3
[M+NH4]+ 338.28422 196.3
[M+K]+ 359.21356 179.3
[M+H-H2O]+ 303.24766 172.8
[M+HCOO]- 365.24860 200.3
[M+CH3COO]- 379.26425 212.2
[M+Na-2H]- 341.22507 182.1
[M]+ 320.24985 178.9
[M]- 320.25095 178.9
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

patents stripe