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

57
Patents

276.17255 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.179826 166.4
[M+Na]+ 299.161768 170.3
[M-H]- 275.165274 171.9
[M+NH4]+ 294.206373 182.2
[M+K]+ 315.135708 168.0
[M+H-H2O]+ 259.169810 158.6
[M+HCOO]- 321.170751 185.2
[M+CH3COO]- 335.186401 199.8
[M+Na-2H]- 297.147216 167.2
[M]+ 276.17200142 165.9
[M]- 276.17309858 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