CID 74477

Oroselone

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

CC(=C)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3

InChI

InChI=1S/C14H10O3/c1-8(2)12-7-10-11(16-12)5-3-9-4-6-13(15)17-14(9)10/h3-7H,1H2,2H3

InChIKey

FQCPXIJRWHRHIP-UHFFFAOYSA-N

Compound name

8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 14
Patents: 226.06299 Da
Monoisotopic Mass: 3.7
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]+	227.07027	144.2
[M+Na]+	249.05221	160.4
[M+NH4]+	244.09681	153.5
[M+K]+	265.02615	155.6
[M-H]-	225.05571	149.8
[M+Na-2H]-	247.03766	150.1
[M]+	226.06244	148.3
[M]-	226.06354	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe