CID 238499

4-(morpholin-4-yl)butan-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: 144
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	134.8
[M+Na]+	180.09950	139.6
[M-H]-	156.10300	136.7
[M+NH4]+	175.14410	152.7
[M+K]+	196.07344	140.4
[M+H-H2O]+	140.10754	128.2
[M+HCOO]-	202.10848	152.8
[M+CH3COO]-	216.12413	176.0
[M+Na-2H]-	178.08495	140.3
[M]+	157.10973	132.7
[M]-	157.11083	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe