CID 11029948

1-morpholin-4-ylacetone

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC(=O)CN1CCOCC1

InChI

InChI=1S/C7H13NO2/c1-7(9)6-8-2-4-10-5-3-8/h2-6H2,1H3

InChIKey

LOBSVGRXQAHJDT-UHFFFAOYSA-N

Compound name

1-morpholin-4-ylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 434
Patents: 143.09464 Da
Monoisotopic Mass: -0.4
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]+	144.10192	130.7
[M+Na]+	166.08386	141.3
[M+NH4]+	161.12846	138.6
[M+K]+	182.05780	136.5
[M-H]-	142.08736	132.7
[M+Na-2H]-	164.06931	134.9
[M]+	143.09409	132.5
[M]-	143.09519	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe