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

19
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 148.5
[M+Na]+ 227.14063 154.8
[M-H]- 203.14413 151.7
[M+NH4]+ 222.18523 167.9
[M+K]+ 243.11457 152.1
[M+H-H2O]+ 187.14867 142.4
[M+HCOO]- 249.14961 170.9
[M+CH3COO]- 263.16526 189.6
[M+Na-2H]- 225.12608 152.2
[M]+ 204.15086 150.8
[M]- 204.15196 150.8
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