CID 20538940

5chmeob

Structural Information

Molecular Formula
C24H32O
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H32O/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(25-2)18-16-23/h11-20H,3-10H2,1-2H3
InChIKey
WCAIUDAYNATQHW-UHFFFAOYSA-N
Compound name
1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

336.24533 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.25261 186.2
[M+Na]+ 359.23455 189.3
[M-H]- 335.23805 194.1
[M+NH4]+ 354.27915 199.3
[M+K]+ 375.20849 183.6
[M+H-H2O]+ 319.24259 176.3
[M+HCOO]- 381.24353 204.2
[M+CH3COO]- 395.25918 214.2
[M+Na-2H]- 357.22000 185.9
[M]+ 336.24478 184.0
[M]- 336.24588 184.0
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