CID 118726652

Moracin j

Structural Information

Molecular Formula

C₁₅H₁₂O₅

SMILES

COC1=C(C=C2C=C(OC2=C1)C3=CC(=CC(=C3)O)O)O

InChI

InChI=1S/C15H12O5/c1-19-15-7-14-9(4-12(15)18)5-13(20-14)8-2-10(16)6-11(17)3-8/h2-7,16-18H,1H3

InChIKey

UUWOGANMKVBGHH-UHFFFAOYSA-N

Compound name

5-(5-hydroxy-6-methoxy-1-benzofuran-2-yl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 272.06848 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]+	273.07576	157.8
[M+Na]+	295.05770	172.6
[M+NH4]+	290.10230	165.3
[M+K]+	311.03164	169.1
[M-H]-	271.06120	162.0
[M+Na-2H]-	293.04315	163.9
[M]+	272.06793	161.1
[M]-	272.06903	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe