CID 20594792

168274-89-3

Structural Information

Molecular Formula
C18H24O2
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C=C
InChI
InChI=1S/C18H24O2/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-18(19)4-2/h4,10-15H,2-3,5-9H2,1H3
InChIKey
QEVDSQAQCWMYKW-UHFFFAOYSA-N
Compound name
[4-(4-propylcyclohexyl)phenyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

272.17764 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.184916 166.3
[M+Na]+ 295.166858 170.3
[M-H]- 271.170364 171.7
[M+NH4]+ 290.211463 182.3
[M+K]+ 311.140798 166.5
[M+H-H2O]+ 255.174900 158.7
[M+HCOO]- 317.175841 184.9
[M+CH3COO]- 331.191491 199.9
[M+Na-2H]- 293.152306 166.6
[M]+ 272.17709142 164.0
[M]- 272.17818858 164.0
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