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
2
Annotation Hits

8
References

7
Patents

216.15141 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.158686 151.6
[M+Na]+ 239.140628 157.8
[M-H]- 215.144134 154.6
[M+NH4]+ 234.185233 170.4
[M+K]+ 255.114568 154.2
[M+H-H2O]+ 199.148670 145.4
[M+HCOO]- 261.149611 173.9
[M+CH3COO]- 275.165261 191.7
[M+Na-2H]- 237.126076 154.8
[M]+ 216.15086142 153.6
[M]- 216.15195858 153.6
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