CID 21722175

55626-36-3

Structural Information

Molecular Formula

C₁₅H₁₆O₆

SMILES

C1=CC(=C(C=C1CC(CC2=C(C=C(C=C2O)O)O)O)O)O

InChI

InChI=1S/C15H16O6/c16-9(3-8-1-2-12(18)15(21)4-8)5-11-13(19)6-10(17)7-14(11)20/h1-2,4,6-7,9,16-21H,3,5H2

InChIKey

OFUFTNROAPAIQL-UHFFFAOYSA-N

Compound name

2-[3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]benzene-1,3,5-triol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2
Patents: 292.0947 Da
Monoisotopic Mass: 1.7
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]+	293.10198	164.5
[M+Na]+	315.08392	171.4
[M-H]-	291.08742	164.2
[M+NH4]+	310.12852	176.1
[M+K]+	331.05786	167.0
[M+H-H2O]+	275.09196	158.1
[M+HCOO]-	337.09290	179.4
[M+CH3COO]-	351.10855	191.2
[M+Na-2H]-	313.06937	164.5
[M]+	292.09415	162.9
[M]-	292.09525	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe