CID 76796

2,6-di(cyclohexylidene)cyclohexan-1-one

Structural Information

Molecular Formula
C18H26O
SMILES
C1CCC(=C2CCCC(=C3CCCCC3)C2=O)CC1
InChI
InChI=1S/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13H2
InChIKey
UXLWGCCTUFJXDJ-UHFFFAOYSA-N
Compound name
2,6-di(cyclohexylidene)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

258.19836 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.205636 165.5
[M+Na]+ 281.187578 165.2
[M-H]- 257.191084 172.1
[M+NH4]+ 276.232183 180.9
[M+K]+ 297.161518 160.3
[M+H-H2O]+ 241.195620 157.0
[M+HCOO]- 303.196561 177.5
[M+CH3COO]- 317.212211 194.0
[M+Na-2H]- 279.173026 163.0
[M]+ 258.19781142 150.1
[M]- 258.19890858 150.1
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