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

literature stripe

Patent stripe

patents stripe