CID 75986

4-ethylmorpholine 4-oxide

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

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

InChI

InChI=1S/C6H13NO2/c1-2-7(8)3-5-9-6-4-7/h2-6H2,1H3

InChIKey

GVKAVGPGTZFANE-UHFFFAOYSA-N

Compound name

4-ethyl-4-oxidomorpholin-4-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 383
Patents: 131.09464 Da
Monoisotopic Mass: -0.3
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]+	132.10192	124.7
[M+Na]+	154.08386	130.6
[M-H]-	130.08736	125.7
[M+NH4]+	149.12846	145.0
[M+K]+	170.05780	126.8
[M+H-H2O]+	114.09190	124.4
[M+HCOO]-	176.09284	143.2
[M+CH3COO]-	190.10849	159.9
[M+Na-2H]-	152.06931	134.9
[M]+	131.09409	119.5
[M]-	131.09519	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe