CID 119586

Coriandrin

Structural Information

Molecular Formula

C₁₃H₁₀O₄

SMILES

CC1=CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC

InChI

InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3

InChIKey

BUZQIMYNOWPYHH-UHFFFAOYSA-N

Compound name

4-methoxy-7-methylfuro[2,3-g]isochromen-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 23
Patents: 230.0579 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]+	231.06518	143.5
[M+Na]+	253.04712	160.0
[M+NH4]+	248.09172	152.8
[M+K]+	269.02106	155.5
[M-H]-	229.05062	149.2
[M+Na-2H]-	251.03257	149.4
[M]+	230.05735	147.7
[M]-	230.05845	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe