CID 576134

82991-48-8

Structural Information

Molecular Formula
C20H32
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)CCC
InChI
InChI=1S/C20H32/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h9-10,13-14,18,20H,3-8,11-12,15-16H2,1-2H3
InChIKey
RXBBPIPXHBOXOU-UHFFFAOYSA-N
Compound name
1-(4-pentylcyclohexyl)-4-propylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

260
Patents

272.2504 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 171.0
[M+Na]+ 295.23962 173.7
[M-H]- 271.24312 175.7
[M+NH4]+ 290.28422 187.2
[M+K]+ 311.21356 169.0
[M+H-H2O]+ 255.24766 163.0
[M+HCOO]- 317.24860 189.0
[M+CH3COO]- 331.26425 203.4
[M+Na-2H]- 293.22507 171.3
[M]+ 272.24985 168.5
[M]- 272.25095 168.5
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