CID 5359485

Alternariol

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O

InChI

InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3

InChIKey

CEBXXEKPIIDJHL-UHFFFAOYSA-N

Compound name

3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 279
References: 248
Patents: 258.05283 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]+	259.06011	152.2
[M+Na]+	281.04205	168.8
[M+NH4]+	276.08665	160.1
[M+K]+	297.01599	163.0
[M-H]-	257.04555	155.6
[M+Na-2H]-	279.02750	157.6
[M]+	258.05228	155.7
[M]-	258.05338	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe