CID 94795

4-octanoylmorpholine

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CCCCCCCC(=O)N1CCOCC1

InChI

InChI=1S/C12H23NO2/c1-2-3-4-5-6-7-12(14)13-8-10-15-11-9-13/h2-11H2,1H3

InChIKey

UFRIDVIGOZTLPL-UHFFFAOYSA-N

Compound name

1-morpholin-4-yloctan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 76
Patents: 213.17288 Da
Monoisotopic Mass: 2.3
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]+	214.180156	153.6
[M+Na]+	236.162098	156.7
[M-H]-	212.165604	154.7
[M+NH4]+	231.206703	169.3
[M+K]+	252.136038	156.5
[M+H-H2O]+	196.170140	146.2
[M+HCOO]-	258.171081	170.2
[M+CH3COO]-	272.186731	187.4
[M+Na-2H]-	234.147546	156.8
[M]+	213.17233142	152.9
[M]-	213.17342858	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe