CID 18605153

2bchmeop

Structural Information

Molecular Formula
C21H32O
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H32O/c1-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22-2)15-13-20/h12-19H,3-11H2,1-2H3
InChIKey
JLYZFSNVLQTHAM-UHFFFAOYSA-N
Compound name
1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

300.24533 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.25261 176.7
[M+Na]+ 323.23455 178.1
[M-H]- 299.23805 184.1
[M+NH4]+ 318.27915 191.2
[M+K]+ 339.20849 173.7
[M+H-H2O]+ 283.24259 167.5
[M+HCOO]- 345.24353 191.5
[M+CH3COO]- 359.25918 206.4
[M+Na-2H]- 321.22000 175.0
[M]+ 300.24478 169.3
[M]- 300.24588 169.3
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