CID 20539305

4chmeob

Structural Information

Molecular Formula
C23H30O
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H30O/c1-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24-2)17-15-22/h10-19H,3-9H2,1-2H3
InChIKey
MRLWLQKPAGNCJS-UHFFFAOYSA-N
Compound name
1-(4-butylcyclohexyl)-4-(4-methoxyphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

322.22968 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23696 181.6
[M+Na]+ 345.21890 185.2
[M-H]- 321.22240 189.8
[M+NH4]+ 340.26350 195.4
[M+K]+ 361.19284 179.8
[M+H-H2O]+ 305.22694 172.0
[M+HCOO]- 367.22788 200.1
[M+CH3COO]- 381.24353 211.2
[M+Na-2H]- 343.20435 181.9
[M]+ 322.22913 179.2
[M]- 322.23023 179.2
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

patents stripe