CID 5487549

79050-06-9

Structural Information

Molecular Formula

C₁₂H₁₁NO₅

SMILES

C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)NCCO

InChI

InChI=1S/C12H11NO5/c14-4-3-13-11(16)9-5-7-1-2-8(15)6-10(7)18-12(9)17/h1-2,5-6,14-15H,3-4H2,(H,13,16)

InChIKey

MFDHNLFEBWFUKL-UHFFFAOYSA-N

Compound name

7-hydroxy-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 249.06372 Da
Monoisotopic Mass: 0.9
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]+	250.070996	150.3
[M+Na]+	272.052938	158.9
[M-H]-	248.056444	153.6
[M+NH4]+	267.097543	165.8
[M+K]+	288.026878	157.0
[M+H-H2O]+	232.060980	143.9
[M+HCOO]-	294.061921	171.2
[M+CH3COO]-	308.077571	190.9
[M+Na-2H]-	270.038386	157.3
[M]+	249.06317142	152.6
[M]-	249.06426858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe