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	145.0
[M+Na]+	249.05221	157.3
[M-H]-	225.05571	153.2
[M+NH4]+	244.09681	165.0
[M+K]+	265.02615	155.5
[M+H-H2O]+	209.06025	139.9
[M+HCOO]-	271.06119	167.9
[M+CH3COO]-	285.07684	160.3
[M+Na-2H]-	247.03766	153.3
[M]+	226.06244	151.2
[M]-	226.06354	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe