CID 3333911

Cyclopentanone, 2-(phenylmethyl)-5-(phenylmethylene)-

Structural Information

Molecular Formula
C19H18O
SMILES
C1CC(=CC2=CC=CC=C2)C(=O)C1CC3=CC=CC=C3
InChI
InChI=1S/C19H18O/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)14-16-9-5-2-6-10-16/h1-10,13,18H,11-12,14H2
InChIKey
PVAYOBPFYZHJKI-UHFFFAOYSA-N
Compound name
2-benzyl-5-benzylidenecyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

262.13577 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14305 162.2
[M+Na]+ 285.12499 168.4
[M-H]- 261.12849 171.5
[M+NH4]+ 280.16959 180.2
[M+K]+ 301.09893 162.5
[M+H-H2O]+ 245.13303 154.3
[M+HCOO]- 307.13397 184.8
[M+CH3COO]- 321.14962 174.1
[M+Na-2H]- 283.11044 163.7
[M]+ 262.13522 159.0
[M]- 262.13632 159.0
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