CID 106716

67589-39-3

Structural Information

Molecular Formula
C18H26O3
SMILES
CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC
InChI
InChI=1S/C18H26O3/c1-3-5-14-6-8-15(9-7-14)18(19)21-17-12-10-16(11-13-17)20-4-2/h10-15H,3-9H2,1-2H3
InChIKey
DCCOHKNJQHHEHV-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

553
Patents

290.1882 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19548 171.1
[M+Na]+ 313.17742 182.5
[M+NH4]+ 308.22202 178.8
[M+K]+ 329.15136 175.1
[M-H]- 289.18092 174.7
[M+Na-2H]- 311.16287 176.8
[M]+ 290.18765 173.6
[M]- 290.18875 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe