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

13
Patents

262.22968 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.236956 167.4
[M+Na]+ 285.218898 166.3
[M-H]- 261.222404 173.9
[M+NH4]+ 280.263503 182.7
[M+K]+ 301.192838 162.6
[M+H-H2O]+ 245.226940 158.7
[M+HCOO]- 307.227881 179.0
[M+CH3COO]- 321.243531 196.8
[M+Na-2H]- 283.204346 164.9
[M]+ 262.22913142 153.6
[M]- 262.23022858 153.6
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