CID 131752966

(r)-apiumetin

Structural Information

Molecular Formula

C₁₄H₁₂O₄

SMILES

CC(=C)C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O

InChI

InChI=1S/C14H12O4/c1-7(2)10-6-9-5-8-3-4-11(15)18-13(8)12(16)14(9)17-10/h3-5,10,16H,1,6H2,2H3

InChIKey

VIUKEEZPYOJNOJ-UHFFFAOYSA-N

Compound name

9-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 244.07356 Da
Monoisotopic Mass: 2.9
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]+	245.080836	150.2
[M+Na]+	267.062778	160.7
[M-H]-	243.066284	156.6
[M+NH4]+	262.107383	168.8
[M+K]+	283.036718	159.0
[M+H-H2O]+	227.070820	145.5
[M+HCOO]-	289.071761	168.8
[M+CH3COO]-	303.087411	192.1
[M+Na-2H]-	265.048226	155.7
[M]+	244.07301142	153.6
[M]-	244.07410858	153.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.