CID 15287400

4-(2-hydroxyethyl)morpholin-3-one

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1COCC(=O)N1CCO

InChI

InChI=1S/C6H11NO3/c8-3-1-7-2-4-10-5-6(7)9/h8H,1-5H2

InChIKey

NLQNYAFMZKEJEO-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethyl)morpholin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 187
Patents: 145.0739 Da
Monoisotopic Mass: -1.3
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]+	146.081176	128.6
[M+Na]+	168.063118	134.9
[M-H]-	144.066624	129.6
[M+NH4]+	163.107723	146.6
[M+K]+	184.037058	135.3
[M+H-H2O]+	128.071160	122.6
[M+HCOO]-	190.072101	146.9
[M+CH3COO]-	204.087751	169.7
[M+Na-2H]-	166.048566	135.2
[M]+	145.07335142	126.4
[M]-	145.07444858	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe