CID 238499

4-morpholin-4-ylbutan-2-one

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(=O)CCN1CCOCC1

InChI

InChI=1S/C8H15NO2/c1-8(10)2-3-9-4-6-11-7-5-9/h2-7H2,1H3

InChIKey

JJCICUFXLXTMDF-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 143
Patents: 157.11028 Da
Monoisotopic Mass: -0.5
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]+	158.11756	135.2
[M+Na]+	180.09950	145.5
[M+NH4]+	175.14410	142.9
[M+K]+	196.07344	140.5
[M-H]-	156.10300	137.1
[M+Na-2H]-	178.08495	139.1
[M]+	157.10973	136.9
[M]-	157.11083	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe