CID 94792

4-myristoylmorpholine

Structural Information

Molecular Formula

C₁₈H₃₅NO₂

SMILES

CCCCCCCCCCCCCC(=O)N1CCOCC1

InChI

InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(20)19-14-16-21-17-15-19/h2-17H2,1H3

InChIKey

QNJKVOIRHZVTSR-UHFFFAOYSA-N

Compound name

1-morpholin-4-yltetradecan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 297.26678 Da
Monoisotopic Mass: 5.6
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]+	298.27406	180.9
[M+Na]+	320.25600	181.4
[M-H]-	296.25950	180.7
[M+NH4]+	315.30060	193.1
[M+K]+	336.22994	179.6
[M+H-H2O]+	280.26404	172.2
[M+HCOO]-	342.26498	195.4
[M+CH3COO]-	356.28063	205.4
[M+Na-2H]-	318.24145	180.8
[M]+	297.26623	182.3
[M]-	297.26733	182.3

Literature stripe

literature stripe

Patent stripe

patents stripe