CID 79182

4-nonanoylmorpholine

Structural Information

Molecular Formula

C₁₃H₂₅NO₂

SMILES

CCCCCCCCC(=O)N1CCOCC1

InChI

InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-13(15)14-9-11-16-12-10-14/h2-12H2,1H3

InChIKey

NBRDJXSTGSUITP-UHFFFAOYSA-N

Compound name

1-morpholin-4-ylnonan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 63
Patents: 227.18852 Da
Monoisotopic Mass: 2.9
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]+	228.195796	158.2
[M+Na]+	250.177738	160.9
[M-H]-	226.181244	159.1
[M+NH4]+	245.222343	173.3
[M+K]+	266.151678	160.4
[M+H-H2O]+	210.185780	150.6
[M+HCOO]-	272.186721	174.5
[M+CH3COO]-	286.202371	190.4
[M+Na-2H]-	248.163186	160.9
[M]+	227.18797142	157.8
[M]-	227.18906858	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe