CID 11029948

1-(4-morpholinyl)acetone

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: 455
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]+	144.101916	130.2
[M+Na]+	166.083858	135.4
[M-H]-	142.087364	132.2
[M+NH4]+	161.128463	148.6
[M+K]+	182.057798	136.4
[M+H-H2O]+	126.091900	123.8
[M+HCOO]-	188.092841	148.5
[M+CH3COO]-	202.108491	173.0
[M+Na-2H]-	164.069306	136.2
[M]+	143.09409142	127.7
[M]-	143.09518858	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe