CID 105551

67679-63-4

Structural Information

Molecular Formula
C20H30O3
SMILES
CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC
InChI
InChI=1S/C20H30O3/c1-3-5-6-7-16-8-10-17(11-9-16)20(21)23-19-14-12-18(13-15-19)22-4-2/h12-17H,3-11H2,1-2H3
InChIKey
MQMODHKFYZEGRC-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl) 4-pentylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

430
Patents

318.21948 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 180.1
[M+Na]+ 341.20870 182.7
[M-H]- 317.21220 185.0
[M+NH4]+ 336.25330 194.2
[M+K]+ 357.18264 179.7
[M+H-H2O]+ 301.21674 171.7
[M+HCOO]- 363.21768 197.9
[M+CH3COO]- 377.23333 208.7
[M+Na-2H]- 339.19415 179.3
[M]+ 318.21893 180.6
[M]- 318.22003 180.6
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