CID 61326986

4-(3-aminophenyl)morpholine-3,5-dione

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

C1C(=O)N(C(=O)CO1)C2=CC=CC(=C2)N

InChI

InChI=1S/C10H10N2O3/c11-7-2-1-3-8(4-7)12-9(13)5-15-6-10(12)14/h1-4H,5-6,11H2

InChIKey

VKPMXFLZVHGEOF-UHFFFAOYSA-N

Compound name

4-(3-aminophenyl)morpholine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.06914 Da
Monoisotopic Mass: 0.1
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]+	207.076416	142.9
[M+Na]+	229.058358	150.7
[M-H]-	205.061864	148.7
[M+NH4]+	224.102963	158.6
[M+K]+	245.032298	149.2
[M+H-H2O]+	189.066400	135.2
[M+HCOO]-	251.067341	163.6
[M+CH3COO]-	265.082991	186.1
[M+Na-2H]-	227.043806	148.2
[M]+	206.06859142	139.9
[M]-	206.06968858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.