CID 4196267

Bicyclo(9.2.2)pentadeca-1(14),11(15),12-trien-6-one

Structural Information

Molecular Formula
C15H20O
SMILES
C1CCC2=CC=C(CCCCC(=O)C1)C=C2
InChI
InChI=1S/C15H20O/c16-15-7-3-1-5-13-9-11-14(12-10-13)6-2-4-8-15/h9-12H,1-8H2
InChIKey
UVPJGEQEAFTJNH-UHFFFAOYSA-N
Compound name
bicyclo[9.2.2]pentadeca-1(13),11,14-trien-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15141 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 150.4
[M+Na]+ 239.14063 160.0
[M+NH4]+ 234.18523 160.4
[M+K]+ 255.11457 151.0
[M-H]- 215.14413 146.1
[M+Na-2H]- 237.12608 145.1
[M]+ 216.15086 150.1
[M]- 216.15196 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.