CID 18605125

5bch2op

Structural Information

Molecular Formula
C25H40O
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C25H40O/c1-3-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-18-25(19-17-24)26-4-2/h16-23H,3-15H2,1-2H3
InChIKey
DIFXLMIWKDFPOC-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

356.30792 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.31520 194.5
[M+Na]+ 379.29714 194.0
[M-H]- 355.30064 200.9
[M+NH4]+ 374.34174 206.5
[M+K]+ 395.27108 188.6
[M+H-H2O]+ 339.30518 184.4
[M+HCOO]- 401.30612 207.8
[M+CH3COO]- 415.32177 218.3
[M+Na-2H]- 377.28259 190.6
[M]+ 356.30737 188.4
[M]- 356.30847 188.4
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