CID 19380607

111158-10-2

Structural Information

Molecular Formula
C22H28O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H28O/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/h9-18H,3-8H2,1-2H3
InChIKey
JYYCVZAXUSBJEB-UHFFFAOYSA-N
Compound name
1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

308.21402 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.22130 177.1
[M+Na]+ 331.20324 181.1
[M-H]- 307.20674 185.5
[M+NH4]+ 326.24784 191.4
[M+K]+ 347.17718 175.9
[M+H-H2O]+ 291.21128 167.7
[M+HCOO]- 353.21222 195.9
[M+CH3COO]- 367.22787 208.3
[M+Na-2H]- 329.18869 177.9
[M]+ 308.21347 174.3
[M]- 308.21457 174.3
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