CID 1550328

(2z,6e)-2,6-dibenzylidenecyclohexanone

Structural Information

Molecular Formula
C20H18O
SMILES
C1C/C(=C\C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/C1
InChI
InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14-,19-15+
InChIKey
CTKKGXDAWIAYSA-KPNKYRRCSA-N
Compound name
(2E,6Z)-2,6-dibenzylidenecyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

100
Patents

274.13577 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14305 165.1
[M+Na]+ 297.12499 170.3
[M-H]- 273.12849 173.7
[M+NH4]+ 292.16959 180.5
[M+K]+ 313.09893 163.7
[M+H-H2O]+ 257.13303 156.3
[M+HCOO]- 319.13397 185.3
[M+CH3COO]- 333.14962 175.9
[M+Na-2H]- 295.11044 167.9
[M]+ 274.13522 159.1
[M]- 274.13632 159.1
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