CID 3691231

7-amino-2-methylchromone

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CC1=CC(=O)C2=C(O1)C=C(C=C2)N

InChI

InChI=1S/C10H9NO2/c1-6-4-9(12)8-3-2-7(11)5-10(8)13-6/h2-5H,11H2,1H3

InChIKey

PAKDFQZWVPNDSC-UHFFFAOYSA-N

Compound name

7-amino-2-methylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 175.06332 Da
Monoisotopic Mass: 2.0
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]+	176.07060	132.6
[M+Na]+	198.05254	143.4
[M-H]-	174.05604	138.6
[M+NH4]+	193.09714	152.8
[M+K]+	214.02648	141.6
[M+H-H2O]+	158.06058	126.9
[M+HCOO]-	220.06152	156.9
[M+CH3COO]-	234.07717	182.7
[M+Na-2H]-	196.03799	141.6
[M]+	175.06277	134.0
[M]-	175.06387	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe