CID 28914

18144-52-0

Structural Information

Molecular Formula

C₁₄H₁₃NO₄

SMILES

C1COCCN1C(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C14H13NO4/c16-13(15-5-7-18-8-6-15)11-9-10-3-1-2-4-12(10)19-14(11)17/h1-4,9H,5-8H2

InChIKey

SLSKQRHMOPTNAU-UHFFFAOYSA-N

Compound name

3-(morpholine-4-carbonyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 259.08447 Da
Monoisotopic Mass: 1.2
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]+	260.091746	154.9
[M+Na]+	282.073688	162.1
[M-H]-	258.077194	162.1
[M+NH4]+	277.118293	168.1
[M+K]+	298.047628	161.5
[M+H-H2O]+	242.081730	146.4
[M+HCOO]-	304.082671	171.8
[M+CH3COO]-	318.098321	166.8
[M+Na-2H]-	280.059136	161.9
[M]+	259.08392142	154.6
[M]-	259.08501858	154.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.