CID 44257227

Corylinal

Structural Information

Molecular Formula

C₁₆H₁₀O₅

SMILES

C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)C=O)O

InChI

InChI=1S/C16H10O5/c17-7-10-5-9(1-4-14(10)19)13-8-21-15-6-11(18)2-3-12(15)16(13)20/h1-8,18-19H

InChIKey

RSDJURKESRJBKH-UHFFFAOYSA-N

Compound name

2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 282.05283 Da
Monoisotopic Mass: 2.5
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]+	283.06011	159.0
[M+Na]+	305.04205	170.0
[M-H]-	281.04555	166.2
[M+NH4]+	300.08665	173.6
[M+K]+	321.01599	166.6
[M+H-H2O]+	265.05009	151.6
[M+HCOO]-	327.05103	179.8
[M+CH3COO]-	341.06668	196.3
[M+Na-2H]-	303.02750	165.6
[M]+	282.05228	162.3
[M]-	282.05338	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe