CID 584331

84655-98-1

Structural Information

Molecular Formula
C22H34O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H34O/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23-2)16-14-21/h13-20H,3-12H2,1-2H3
InChIKey
YGBCZZWUEAKAFO-UHFFFAOYSA-N
Compound name
1-methoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

314.26096 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.26824 181.2
[M+Na]+ 337.25018 182.1
[M-H]- 313.25368 188.4
[M+NH4]+ 332.29478 195.0
[M+K]+ 353.22412 177.4
[M+H-H2O]+ 297.25822 171.8
[M+HCOO]- 359.25916 195.6
[M+CH3COO]- 373.27481 209.4
[M+Na-2H]- 335.23563 178.9
[M]+ 314.26041 174.1
[M]- 314.26151 174.1
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

No patent data available for this compound.