CID 316178

2,6-dicyclohexylcyclohexanone

Structural Information

Molecular Formula
C18H30O
SMILES
C1CCC(CC1)C2CCCC(C2=O)C3CCCCC3
InChI
InChI=1S/C18H30O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h14-17H,1-13H2
InChIKey
BQTZXRJQXMPUHY-UHFFFAOYSA-N
Compound name
2,6-dicyclohexylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

262.22968 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 169.3
[M+Na]+ 285.21890 179.4
[M+NH4]+ 280.26350 179.2
[M+K]+ 301.19284 170.8
[M-H]- 261.22240 175.8
[M+Na-2H]- 283.20435 174.9
[M]+ 262.22913 172.4
[M]- 262.23023 172.4
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