CID 80582

1-(4-dodecylphenyl)ethanone

Structural Information

Molecular Formula
C20H32O
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C20H32O/c1-3-4-5-6-7-8-9-10-11-12-13-19-14-16-20(17-15-19)18(2)21/h14-17H,3-13H2,1-2H3
InChIKey
BHNXFIZZDLESSJ-UHFFFAOYSA-N
Compound name
1-(4-dodecylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

288.24533 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 176.1
[M+Na]+ 311.23455 187.5
[M+NH4]+ 306.27915 183.5
[M+K]+ 327.20849 178.1
[M-H]- 287.23805 178.2
[M+Na-2H]- 309.22000 180.8
[M]+ 288.24478 178.3
[M]- 288.24588 178.3
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