CID 344253

49739-65-3

Structural Information

Molecular Formula

C₁₂H₉NO₄

SMILES

COC1=C2C(=C(C3=C1OC=C3)N)C=CC(=O)O2

InChI

InChI=1S/C12H9NO4/c1-15-12-10-7(4-5-16-10)9(13)6-2-3-8(14)17-11(6)12/h2-5H,13H2,1H3

InChIKey

MONZOXMQHOAEQD-UHFFFAOYSA-N

Compound name

4-amino-9-methoxyfuro[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 231.05316 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]+	232.06044	144.3
[M+Na]+	254.04238	157.3
[M-H]-	230.04588	152.6
[M+NH4]+	249.08698	163.9
[M+K]+	270.01632	156.3
[M+H-H2O]+	214.05042	139.0
[M+HCOO]-	276.05136	169.3
[M+CH3COO]-	290.06701	159.9
[M+Na-2H]-	252.02783	153.7
[M]+	231.05261	151.4
[M]-	231.05371	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe