CID 19438826

6-amino-4h-chromen-4-one

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C=C1N)C(=O)C=CO2

InChI

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

InChIKey

MBBFNMNVDPOREX-UHFFFAOYSA-N

Compound name

6-aminochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 90
Patents: 161.04768 Da
Monoisotopic Mass: 1.1
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	127.7
[M+Na]+	184.03690	138.0
[M-H]-	160.04040	133.5
[M+NH4]+	179.08150	148.2
[M+K]+	200.01084	136.4
[M+H-H2O]+	144.04494	122.0
[M+HCOO]-	206.04588	152.4
[M+CH3COO]-	220.06153	178.5
[M+Na-2H]-	182.02235	138.1
[M]+	161.04713	128.4
[M]-	161.04823	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe