CID 44257487

6a-hydroxymaackiain

Structural Information

Molecular Formula

C₁₆H₁₂O₆

SMILES

C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C42)OCO5)O

InChI

InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2

InChIKey

GLMPLZUBQDAZEN-UHFFFAOYSA-N

Compound name

5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-1,16-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 4
Patents: 300.0634 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]+	301.070676	158.3
[M+Na]+	323.052618	168.8
[M-H]-	299.056124	166.4
[M+NH4]+	318.097223	176.4
[M+K]+	339.026558	168.9
[M+H-H2O]+	283.060660	155.1
[M+HCOO]-	345.061601	170.9
[M+CH3COO]-	359.077251	171.1
[M+Na-2H]-	321.038066	166.1
[M]+	300.06285142	162.8
[M]-	300.06394858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.