CID 3019939

84540-35-2

Structural Information

Molecular Formula
C26H40O2
SMILES
CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)CCC
InChI
InChI=1S/C26H40O2/c1-3-5-7-21-10-14-24(15-11-21)26(27)28-25-18-16-23(17-19-25)22-12-8-20(6-4-2)9-13-22/h16-22,24H,3-15H2,1-2H3
InChIKey
NDGYDNIXYKYKAC-UHFFFAOYSA-N
Compound name
[4-(4-propylcyclohexyl)phenyl] 4-butylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

384.30283 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.31011 201.9
[M+Na]+ 407.29205 212.6
[M+NH4]+ 402.33665 209.9
[M+K]+ 423.26599 203.2
[M-H]- 383.29555 208.0
[M+Na-2H]- 405.27750 207.2
[M]+ 384.30228 205.1
[M]- 384.30338 205.1
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