CID 13028955

Schembl5142795

Structural Information

Molecular Formula

C₁₇H₂₆O

SMILES

CCCCCCCCCC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C17H26O/c1-2-3-4-5-6-7-11-14-17(18)15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3

InChIKey

DVEPCLIODRFJBF-UHFFFAOYSA-N

Compound name

1-phenylundecan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 246.19836 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.205636	163.4
[M+Na]+	269.187578	167.4
[M-H]-	245.191084	165.5
[M+NH4]+	264.232183	180.6
[M+K]+	285.161518	163.9
[M+H-H2O]+	229.195620	156.3
[M+HCOO]-	291.196561	184.7
[M+CH3COO]-	305.212211	197.5
[M+Na-2H]-	267.173026	166.0
[M]+	246.19781142	166.3
[M]-	246.19890858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe