CID 20539237

77702-35-3

Structural Information

Molecular Formula
C25H34O
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C25H34O/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/h12-21H,3-11H2,1-2H3
InChIKey
BMFWYSYUZAOKOB-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

350.26096 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.26824 190.7
[M+Na]+ 373.25018 193.3
[M-H]- 349.25368 198.4
[M+NH4]+ 368.29478 203.2
[M+K]+ 389.22412 187.4
[M+H-H2O]+ 333.25822 180.6
[M+HCOO]- 395.25916 208.4
[M+CH3COO]- 409.27481 217.1
[M+Na-2H]- 371.23563 189.8
[M]+ 350.26041 188.9
[M]- 350.26151 188.9
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