CID 606557

4-hexyloxyphenyl 4-butylcyclohexanecarboxylate

Structural Information

Molecular Formula
C23H36O3
SMILES
CCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCCC
InChI
InChI=1S/C23H36O3/c1-3-5-7-8-18-25-21-14-16-22(17-15-21)26-23(24)20-12-10-19(11-13-20)9-6-4-2/h14-17,19-20H,3-13,18H2,1-2H3
InChIKey
JRADJRGNSFYGJB-UHFFFAOYSA-N
Compound name
(4-hexoxyphenyl) 4-butylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

360.26645 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.27373 193.4
[M+Na]+ 383.25567 203.7
[M+NH4]+ 378.30027 200.2
[M+K]+ 399.22961 195.1
[M-H]- 359.25917 196.7
[M+Na-2H]- 381.24112 197.8
[M]+ 360.26590 195.6
[M]- 360.26700 195.6
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