CID 14899645

1-(4-hexylphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C15H20O
SMILES
CCCCCCC1=CC=C(C=C1)C(=O)C=C
InChI
InChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3
InChIKey
IINHTEWASPUCMH-UHFFFAOYSA-N
Compound name
1-(4-hexylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

216.15141 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 152.7
[M+Na]+ 239.14063 165.2
[M+NH4]+ 234.18523 160.8
[M+K]+ 255.11457 157.0
[M-H]- 215.14413 154.8
[M+Na-2H]- 237.12608 158.8
[M]+ 216.15086 155.1
[M]- 216.15196 155.1
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