CID 5490061

Oxazorone

Structural Information

Molecular Formula

C₁₄H₁₅NO₄

SMILES

C1COCCN1CC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C14H15NO4/c16-11-1-2-12-10(7-14(17)19-13(12)8-11)9-15-3-5-18-6-4-15/h1-2,7-8,16H,3-6,9H2

InChIKey

LLQWUZKGZZNBKG-UHFFFAOYSA-N

Compound name

7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 170
Patents: 261.1001 Da
Monoisotopic Mass: 1.0
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]+	262.10738	156.6
[M+Na]+	284.08932	164.2
[M-H]-	260.09282	162.7
[M+NH4]+	279.13392	169.4
[M+K]+	300.06326	162.8
[M+H-H2O]+	244.09736	148.2
[M+HCOO]-	306.09830	172.7
[M+CH3COO]-	320.11395	168.1
[M+Na-2H]-	282.07477	163.6
[M]+	261.09955	156.3
[M]-	261.10065	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe