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

126
Patents

336.24533 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.252606 186.2
[M+Na]+ 359.234548 189.3
[M-H]- 335.238054 194.1
[M+NH4]+ 354.279153 199.3
[M+K]+ 375.208488 183.6
[M+H-H2O]+ 319.242590 176.3
[M+HCOO]- 381.243531 204.2
[M+CH3COO]- 395.259181 214.2
[M+Na-2H]- 357.219996 185.9
[M]+ 336.24478142 184.0
[M]- 336.24587858 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