CID 120586

1846-78-2

Structural Information

Molecular Formula

C₁₀H₇NO₃

SMILES

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

InChI

InChI=1S/C10H7NO3/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H2,11,12)

InChIKey

XMQOBGDXGQSRID-UHFFFAOYSA-N

Compound name

2-oxochromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 137
Patents: 189.04259 Da
Monoisotopic Mass: 1.5
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]+	190.049866	134.8
[M+Na]+	212.031808	144.6
[M-H]-	188.035314	140.5
[M+NH4]+	207.076413	153.9
[M+K]+	228.005748	143.1
[M+H-H2O]+	172.039850	128.8
[M+HCOO]-	234.040791	158.5
[M+CH3COO]-	248.056441	183.8
[M+Na-2H]-	210.017256	143.4
[M]+	189.04204142	135.9
[M]-	189.04313858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe