CID 292592

5-pentadecanone

Structural Information

Molecular Formula

C₁₅H₃₀O

SMILES

CCCCCCCCCCC(=O)CCCC

InChI

InChI=1S/C15H30O/c1-3-5-7-8-9-10-11-12-14-15(16)13-6-4-2/h3-14H2,1-2H3

InChIKey

NADMBULPSVEFAV-UHFFFAOYSA-N

Compound name

pentadecan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 226.22966 Da
Monoisotopic Mass: 6.0
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]+	227.236936	162.2
[M+Na]+	249.218878	165.8
[M-H]-	225.222384	161.0
[M+NH4]+	244.263483	180.6
[M+K]+	265.192818	163.6
[M+H-H2O]+	209.226920	156.3
[M+HCOO]-	271.227861	182.5
[M+CH3COO]-	285.243511	196.4
[M+Na-2H]-	247.204326	163.2
[M]+	226.22911142	167.1
[M]-	226.23020858	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe