CID 75667

N-dodecylmorpholine n-oxide

Structural Information

Molecular Formula

C₁₆H₃₃NO₂

SMILES

CCCCCCCCCCCC[N+]1(CCOCC1)[O-]

InChI

InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17(18)13-15-19-16-14-17/h2-16H2,1H3

InChIKey

FHORWCGUALMRKR-UHFFFAOYSA-N

Compound name

4-dodecyl-4-oxidomorpholin-4-ium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 141
Patents: 271.25113 Da
Monoisotopic Mass: 4.9
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]+	272.25841	171.0
[M+Na]+	294.24035	181.9
[M+NH4]+	289.28495	180.0
[M+K]+	310.21429	173.9
[M-H]-	270.24385	174.4
[M+Na-2H]-	292.22580	174.9
[M]+	271.25058	173.6
[M]-	271.25168	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe