CID 43002

3-amino-4-morpholinocoumarin

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

C1COCCN1C2=C(C(=O)OC3=CC=CC=C32)N

InChI

InChI=1S/C13H14N2O3/c14-11-12(15-5-7-17-8-6-15)9-3-1-2-4-10(9)18-13(11)16/h1-4H,5-8,14H2

InChIKey

CYCPRMKAIHGCML-UHFFFAOYSA-N

Compound name

3-amino-4-morpholin-4-ylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 246.10045 Da
Monoisotopic Mass: 0.9
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]+	247.107726	154.0
[M+Na]+	269.089668	161.8
[M-H]-	245.093174	161.0
[M+NH4]+	264.134273	167.6
[M+K]+	285.063608	160.4
[M+H-H2O]+	229.097710	145.4
[M+HCOO]-	291.098651	172.1
[M+CH3COO]-	305.114301	165.9
[M+Na-2H]-	267.075116	161.2
[M]+	246.09990142	152.1
[M]-	246.10099858	152.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.