CID 15543

1696-20-4

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(=O)N1CCOCC1

InChI

InChI=1S/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3

InChIKey

KYWXRBNOYGGPIZ-UHFFFAOYSA-N

Compound name

1-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 7215
Patents: 129.07898 Da
Monoisotopic Mass: -0.7
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]+	130.086256	125.7
[M+Na]+	152.068198	131.4
[M-H]-	128.071704	128.0
[M+NH4]+	147.112803	144.9
[M+K]+	168.042138	132.8
[M+H-H2O]+	112.076240	119.6
[M+HCOO]-	174.077181	144.4
[M+CH3COO]-	188.092831	169.2
[M+Na-2H]-	150.053646	132.3
[M]+	129.07843142	122.8
[M]-	129.07952858	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe