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 167.4
[M+Na]+ 285.21890 166.3
[M-H]- 261.22240 173.9
[M+NH4]+ 280.26350 182.7
[M+K]+ 301.19284 162.6
[M+H-H2O]+ 245.22694 158.7
[M+HCOO]- 307.22788 179.0
[M+CH3COO]- 321.24353 196.8
[M+Na-2H]- 283.20435 164.9
[M]+ 262.22913 153.6
[M]- 262.23023 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