CID 60972

78-21-7

Structural Information

Molecular Formula

C₂₂H₄₆NO

SMILES

CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CC

InChI

InChI=1S/C22H46NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4-2)19-21-24-22-20-23/h3-22H2,1-2H3/q+1

InChIKey

MADJEWLMWMDFAG-UHFFFAOYSA-N

Compound name

4-ethyl-4-hexadecylmorpholin-4-ium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1245
Patents: 340.35794 Da
Monoisotopic Mass: 8.0
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]+	341.36522	193.8
[M+Na]+	363.34716	193.4
[M-H]-	339.35066	193.4
[M+NH4]+	358.39176	206.5
[M+K]+	379.32110	185.0
[M+H-H2O]+	323.35520	188.2
[M+HCOO]-	385.35614	207.2
[M+CH3COO]-	399.37179	209.4
[M+Na-2H]-	361.33261	196.3
[M]+	340.35739	195.2
[M]-	340.35849	195.2

Literature stripe

literature stripe

Patent stripe

patents stripe