CID 79468233

4-(2-aminoethyl)morpholin-3-one hydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

C1COCC(=O)N1CCN

InChI

InChI=1S/C6H12N2O2/c7-1-2-8-3-4-10-5-6(8)9/h1-5,7H2

InChIKey

DOXJSTOBGXLIKS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 144.08987 Da
Monoisotopic Mass: -1.6
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]+	145.09715	130.0
[M+Na]+	167.07909	135.9
[M-H]-	143.08259	131.9
[M+NH4]+	162.12369	148.1
[M+K]+	183.05303	136.2
[M+H-H2O]+	127.08713	123.4
[M+HCOO]-	189.08807	150.0
[M+CH3COO]-	203.10372	174.4
[M+Na-2H]-	165.06454	136.2
[M]+	144.08932	126.4
[M]-	144.09042	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe