CID 5128602

1-(4-ethyl-phenyl)-dodecan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.24533 Da
Monoisotopic Mass

7.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.