CID 576378

84656-75-7

Structural Information

Molecular Formula
C22H34
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C
InChI
InChI=1S/C22H34/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/h5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3
InChIKey
SDESCXGEQILYTQ-UHFFFAOYSA-N
Compound name
1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

298.26605 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.27333 179.4
[M+Na]+ 321.25527 192.4
[M+NH4]+ 316.29987 189.8
[M+K]+ 337.22921 182.0
[M-H]- 297.25877 187.3
[M+Na-2H]- 319.24072 187.2
[M]+ 298.26550 183.7
[M]- 298.26660 183.7
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