CID 106715

67589-38-2

Structural Information

Molecular Formula
C17H24O3
SMILES
CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H24O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h9-14H,3-8H2,1-2H3
InChIKey
YOMOGIXKVWWEHG-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 4-propylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

54
Patents

276.17255 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 166.4
[M+Na]+ 299.16177 170.3
[M-H]- 275.16527 171.9
[M+NH4]+ 294.20637 182.2
[M+K]+ 315.13571 168.0
[M+H-H2O]+ 259.16981 158.6
[M+HCOO]- 321.17075 185.2
[M+CH3COO]- 335.18640 199.8
[M+Na-2H]- 297.14722 167.2
[M]+ 276.17200 165.9
[M]- 276.17310 165.9
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