CID 3016281

Einecs 255-390-7

Structural Information

Molecular Formula
C18H26O
SMILES
C1CCC(=C2CCCC(C2=O)C3=CCCCC3)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/h8,16H,1-7,9-13H2
InChIKey
HYUPSGGKJPMYLH-UHFFFAOYSA-N
Compound name
2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

258.19836 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.205636 164.7
[M+Na]+ 281.187578 165.0
[M-H]- 257.191084 171.6
[M+NH4]+ 276.232183 180.2
[M+K]+ 297.161518 160.5
[M+H-H2O]+ 241.195620 156.1
[M+HCOO]- 303.196561 178.0
[M+CH3COO]- 317.212211 195.0
[M+Na-2H]- 279.173026 163.2
[M]+ 258.19781142 151.5
[M]- 258.19890858 151.5
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