CID 86636

4-phenylpentan-2-one

Structural Information

Molecular Formula
C11H14O
SMILES
CC(CC(=O)C)C1=CC=CC=C1
InChI
InChI=1S/C11H14O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKey
SYOVWIRLZABVDO-UHFFFAOYSA-N
Compound name
4-phenylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

162.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 136.0
[M+Na]+ 185.09368 148.6
[M+NH4]+ 180.13828 145.0
[M+K]+ 201.06762 142.1
[M-H]- 161.09718 138.3
[M+Na-2H]- 183.07913 143.1
[M]+ 162.10391 138.5
[M]- 162.10501 138.5
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