PubChemLite - Dihydrodehydrodiconiferyl alcohol (C20H24O6)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)CCCO

InChI

InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m0/s1

InChIKey

SBLZVJIHPWRSQQ-HNAYVOBHSA-N

Compound name

4-[(2S,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol

Related CIDs

2D Structure

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]+	361.16458	185.2
[M+Na]+	383.14652	196.9
[M+NH4]+	378.19112	191.1
[M+K]+	399.12046	193.4
[M-H]-	359.15002	188.3
[M+Na-2H]-	381.13197	187.5
[M]+	360.15675	187.6
[M]-	360.15785	187.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

361.16458

185.2

[M+Na]+

383.14652

196.9

[M+NH4]+

378.19112

191.1

[M+K]+

399.12046

193.4

[M-H]-

359.15002

188.3

[M+Na-2H]-

381.13197

187.5

[M]+

360.15675

187.6

[M]-

360.15785

187.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dihydrodehydrodiconiferyl alcohol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe