CID 71347088

1-(5-methyl-3-pyridinyl)-1-decanone

Structural Information

Molecular Formula

C₁₆H₂₅NO

SMILES

CCCCCCCCCC(=O)C1=CN=CC(=C1)C

InChI

InChI=1S/C16H25NO/c1-3-4-5-6-7-8-9-10-16(18)15-11-14(2)12-17-13-15/h11-13H,3-10H2,1-2H3

InChIKey

DDGAOBFOWITDPC-UHFFFAOYSA-N

Compound name

1-(5-methylpyridin-3-yl)decan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.19362 Da
Monoisotopic Mass: 5.0
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]+	248.20090	162.4
[M+Na]+	270.18284	174.4
[M+NH4]+	265.22744	169.7
[M+K]+	286.15678	166.2
[M-H]-	246.18634	163.8
[M+Na-2H]-	268.16829	167.8
[M]+	247.19307	164.4
[M]-	247.19417	164.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.