CID 134586

Qvl2vov0ug

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

C1COCC2=C1C3=CC=CC=C3OC2=O

InChI

InChI=1S/C12H10O3/c13-12-10-7-14-6-5-8(10)9-3-1-2-4-11(9)15-12/h1-4H,5-7H2

InChIKey

WSECHJISCFFJEN-UHFFFAOYSA-N

Compound name

2,4-dihydro-1H-pyrano[3,4-c]chromen-5-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 202.06299 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]+	203.07027	136.8
[M+Na]+	225.05221	146.1
[M-H]-	201.05571	143.8
[M+NH4]+	220.09681	155.5
[M+K]+	241.02615	145.4
[M+H-H2O]+	185.06025	130.4
[M+HCOO]-	247.06119	156.2
[M+CH3COO]-	261.07684	150.9
[M+Na-2H]-	223.03766	148.0
[M]+	202.06244	138.1
[M]-	202.06354	138.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.