CID 23105324

4-(2,4-diaminophenyl)morpholin-3-one

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1COCC(=O)N1C2=C(C=C(C=C2)N)N

InChI

InChI=1S/C10H13N3O2/c11-7-1-2-9(8(12)5-7)13-3-4-15-6-10(13)14/h1-2,5H,3-4,6,11-12H2

InChIKey

ILLFBLRLPINBMA-UHFFFAOYSA-N

Compound name

4-(2,4-diaminophenyl)morpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 207.10077 Da
Monoisotopic Mass: -0.4
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]+	208.108046	146.1
[M+Na]+	230.089988	152.9
[M-H]-	206.093494	151.3
[M+NH4]+	225.134593	161.3
[M+K]+	246.063928	150.9
[M+H-H2O]+	190.098030	138.1
[M+HCOO]-	252.098971	166.7
[M+CH3COO]-	266.114621	189.3
[M+Na-2H]-	228.075436	150.6
[M]+	207.10022142	140.6
[M]-	207.10131858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe