CID 101995280

Coriandrone c

Structural Information

Molecular Formula

C₁₃H₁₀O₅

SMILES

COC1=C2C(=CC3=C1C=CO3)C=C(OC2=O)CO

InChI

InChI=1S/C13H10O5/c1-16-12-9-2-3-17-10(9)5-7-4-8(6-14)18-13(15)11(7)12/h2-5,14H,6H2,1H3

InChIKey

KFOFBVHBCDBMPK-UHFFFAOYSA-N

Compound name

7-(hydroxymethyl)-4-methoxyfuro[2,3-g]isochromen-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 246.05283 Da
Monoisotopic Mass: 1.4
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]+	247.06011	147.0
[M+Na]+	269.04205	159.8
[M-H]-	245.04555	154.3
[M+NH4]+	264.08665	165.8
[M+K]+	285.01599	158.9
[M+H-H2O]+	229.05009	141.9
[M+HCOO]-	291.05103	169.9
[M+CH3COO]-	305.06668	162.2
[M+Na-2H]-	267.02750	156.2
[M]+	246.05228	155.7
[M]-	246.05338	155.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.