CID 62767

4,4'-dimethylangelicin

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

CC1=CC(=O)OC2=C1C=CC3=C2C(=CO3)C

InChI

InChI=1S/C13H10O3/c1-7-5-11(14)16-13-9(7)3-4-10-12(13)8(2)6-15-10/h3-6H,1-2H3

InChIKey

ZUOUYRRXKPHFSV-UHFFFAOYSA-N

Compound name

4,9-dimethylfuro[2,3-h]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 80
Patents: 214.06299 Da
Monoisotopic Mass: 2.7
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]+	215.07027	140.1
[M+Na]+	237.05221	157.1
[M+NH4]+	232.09681	150.0
[M+K]+	253.02615	152.1
[M-H]-	213.05571	146.3
[M+Na-2H]-	235.03766	146.5
[M]+	214.06244	144.6
[M]-	214.06354	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe