CID 246815

1-(piperidin-1-yl)nonan-1-one

Structural Information

Molecular Formula

C₁₄H₂₇NO

SMILES

CCCCCCCCC(=O)N1CCCCC1

InChI

InChI=1S/C14H27NO/c1-2-3-4-5-6-8-11-14(16)15-12-9-7-10-13-15/h2-13H2,1H3

InChIKey

CZWBBMMYTINOOP-UHFFFAOYSA-N

Compound name

1-piperidin-1-ylnonan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 225.20926 Da
Monoisotopic Mass: 4.1
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]+	226.21654	159.4
[M+Na]+	248.19848	161.6
[M-H]-	224.20198	159.4
[M+NH4]+	243.24308	175.9
[M+K]+	264.17242	159.4
[M+H-H2O]+	208.20652	151.8
[M+HCOO]-	270.20746	176.0
[M+CH3COO]-	284.22311	191.5
[M+Na-2H]-	246.18393	160.6
[M]+	225.20871	157.3
[M]-	225.20981	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe