CID 82468925

Refchem:539374

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1C(OCC(=O)N1)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)9-5-12-10(13)6-14-9/h1-4,9H,5-6,11H2,(H,12,13)

InChIKey

QMVHFRMIEJDIBA-UHFFFAOYSA-N

Compound name

6-(4-aminophenyl)morpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.08987 Da
Monoisotopic Mass: 0.0
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]+	193.09715	141.6
[M+Na]+	215.07909	147.8
[M-H]-	191.08259	145.5
[M+NH4]+	210.12369	157.0
[M+K]+	231.05303	145.4
[M+H-H2O]+	175.08713	134.1
[M+HCOO]-	237.08807	160.3
[M+CH3COO]-	251.10372	181.0
[M+Na-2H]-	213.06454	147.0
[M]+	192.08932	135.5
[M]-	192.09042	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe