CID 20539034

Rel-4-methyl-4'-((1s,4r)-4-propylcyclohexyl)-1,1'-biphenyl

Structural Information

Molecular Formula
C22H28
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C22H28/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h5-6,9-10,13-16,18,20H,3-4,7-8,11-12H2,1-2H3
InChIKey
CLRHFAMMZFURPE-UHFFFAOYSA-N
Compound name
1-methyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

292.2191 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22638 173.3
[M+Na]+ 315.20832 177.5
[M-H]- 291.21182 181.7
[M+NH4]+ 310.25292 188.4
[M+K]+ 331.18226 171.6
[M+H-H2O]+ 275.21636 164.2
[M+HCOO]- 337.21730 192.0
[M+CH3COO]- 351.23295 183.4
[M+Na-2H]- 313.19377 174.2
[M]+ 292.21855 169.2
[M]- 292.21965 169.2
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.