CID 3016921

3-(phenylmethylene)-2-octanone

Structural Information

Molecular Formula
C15H20O
SMILES
CCCCCC(=CC1=CC=CC=C1)C(=O)C
InChI
InChI=1S/C15H20O/c1-3-4-6-11-15(13(2)16)12-14-9-7-5-8-10-14/h5,7-10,12H,3-4,6,11H2,1-2H3
InChIKey
AEKMJNFNQGGLDT-UHFFFAOYSA-N
Compound name
3-benzylideneoctan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

216.15141 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 153.5
[M+Na]+ 239.14063 165.2
[M+NH4]+ 234.18523 161.4
[M+K]+ 255.11457 157.6
[M-H]- 215.14413 155.3
[M+Na-2H]- 237.12608 159.3
[M]+ 216.15086 155.6
[M]- 216.15196 155.6
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

patents stripe