CID 220414

5299-68-3

Structural Information

Molecular Formula

C₂₀H₃₉NO₂

SMILES

CCCCCCCCCCCCCCCC(=O)N1CCOCC1

InChI

InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(22)21-16-18-23-19-17-21/h2-19H2,1H3

InChIKey

CSXWLOVEZJWZMB-UHFFFAOYSA-N

Compound name

1-morpholin-4-ylhexadecan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 32
Patents: 325.29807 Da
Monoisotopic Mass: 6.7
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]+	326.305346	189.8
[M+Na]+	348.287288	189.5
[M-H]-	324.290794	189.3
[M+NH4]+	343.331893	200.9
[M+K]+	364.261228	187.2
[M+H-H2O]+	308.295330	180.8
[M+HCOO]-	370.296271	203.7
[M+CH3COO]-	384.311921	211.4
[M+Na-2H]-	346.272736	188.7
[M]+	325.29752142	191.9
[M]-	325.29861858	191.9

Literature stripe

literature stripe

Patent stripe

patents stripe