CID 105460

67589-52-0

Structural Information

Molecular Formula
C19H28O3
SMILES
CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OC
InChI
InChI=1S/C19H28O3/c1-3-4-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(21-2)12-14-18/h11-16H,3-10H2,1-2H3
InChIKey
HJIVFZUPTYADSP-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

534
Patents

304.20386 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 175.5
[M+Na]+ 327.19308 186.8
[M+NH4]+ 322.23768 183.1
[M+K]+ 343.16702 179.1
[M-H]- 303.19658 179.1
[M+Na-2H]- 325.17853 181.0
[M]+ 304.20331 178.0
[M]- 304.20441 178.0
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