CID 74217

3-aminocoumarin

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)N

InChI

InChI=1S/C9H7NO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H,10H2

InChIKey

QWZHDKGQKYEBKK-UHFFFAOYSA-N

Compound name

3-aminochromen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 119
References: 10276
Patents: 161.04768 Da
Monoisotopic Mass: 1.4
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]+	162.05496	128.3
[M+Na]+	184.03690	143.1
[M+NH4]+	179.08150	137.8
[M+K]+	200.01084	136.7
[M-H]-	160.04040	133.3
[M+Na-2H]-	182.02235	136.1
[M]+	161.04713	131.9
[M]-	161.04823	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe