CID 56278

3-glyoxyloylcoumarin

Structural Information

Molecular Formula

C₁₁H₆O₄

SMILES

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

InChI

InChI=1S/C11H6O4/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-6H

InChIKey

HGVHQIKVXUMASV-UHFFFAOYSA-N

Compound name

2-oxo-2-(2-oxochromen-3-yl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 202.02661 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]+	203.03389	137.2
[M+Na]+	225.01583	151.9
[M+NH4]+	220.06043	145.2
[M+K]+	240.98977	146.1
[M-H]-	201.01933	140.3
[M+Na-2H]-	223.00128	143.7
[M]+	202.02606	140.1
[M]-	202.02716	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe