CID 12052728

1-(4-pentylphenyl)propan-1-one

Structural Information

Molecular Formula
C14H20O
SMILES
CCCCCC1=CC=C(C=C1)C(=O)CC
InChI
InChI=1S/C14H20O/c1-3-5-6-7-12-8-10-13(11-9-12)14(15)4-2/h8-11H,3-7H2,1-2H3
InChIKey
GQKXWKNBTSSVEL-UHFFFAOYSA-N
Compound name
1-(4-pentylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

204.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 149.0
[M+Na]+ 227.14063 161.7
[M+NH4]+ 222.18523 157.5
[M+K]+ 243.11457 153.8
[M-H]- 203.14413 151.4
[M+Na-2H]- 225.12608 155.4
[M]+ 204.15086 151.5
[M]- 204.15196 151.5
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