CID 66344

10541-56-7

Structural Information

Molecular Formula
C16H24O
SMILES
CCCCCCCCC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C16H24O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-13H,3-9H2,1-2H3
InChIKey
GARQDIVXKVBJFP-UHFFFAOYSA-N
Compound name
1-(4-octylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

392
Patents

232.18271 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 157.9
[M+Na]+ 255.171928 163.3
[M-H]- 231.175434 160.7
[M+NH4]+ 250.216533 176.1
[M+K]+ 271.145868 160.1
[M+H-H2O]+ 215.179970 151.3
[M+HCOO]- 277.180911 179.6
[M+CH3COO]- 291.196561 195.6
[M+Na-2H]- 253.157376 160.4
[M]+ 232.18216142 160.9
[M]- 232.18325858 160.9
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