CID 19850396

1,1'-bicyclohexyl, 4-butyl-4'-ethyl-

Structural Information

Molecular Formula
C18H34
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)CC
InChI
InChI=1S/C18H34/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h15-18H,3-14H2,1-2H3
InChIKey
DGDNPGNJFCSFSD-UHFFFAOYSA-N
Compound name
1-butyl-4-(4-ethylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

250.26605 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.27333 167.3
[M+Na]+ 273.25527 167.8
[M-H]- 249.25877 171.3
[M+NH4]+ 268.29987 184.2
[M+K]+ 289.22921 164.2
[M+H-H2O]+ 233.26331 159.7
[M+HCOO]- 295.26425 181.5
[M+CH3COO]- 309.27990 198.6
[M+Na-2H]- 271.24072 165.6
[M]+ 250.26550 159.8
[M]- 250.26660 159.8
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

No patent data available for this compound.