(1'x,2s)-2-(1,2-dihydroxy-1-methylethyl)-2,3-dihydro-7h-furo[3,2-g][1]benzopyran-7-one 2'-glucoside (C20H24O10)

Structural Information

Molecular Formula

SMILES

CC(COC1C(C(C(C(O1)CO)O)O)O)(C2CC3=C(O2)C=C4C(=C3)C=CC(=O)O4)O

InChI

InChI=1S/C20H24O10/c1-20(26,8-27-19-18(25)17(24)16(23)13(7-21)30-19)14-5-10-4-9-2-3-15(22)29-11(9)6-12(10)28-14/h2-4,6,13-14,16-19,21,23-26H,5,7-8H2,1H3

InChIKey

LCIXUGGPLIEEGU-UHFFFAOYSA-N

Compound name

2-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one

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]+	425.144206	192.8
[M+Na]+	447.126148	198.1
[M-H]-	423.129654	196.9
[M+NH4]+	442.170753	199.1
[M+K]+	463.100088	199.1
[M+H-H2O]+	407.134190	187.4
[M+HCOO]-	469.135131	199.0
[M+CH3COO]-	483.150781	219.3
[M+Na-2H]-	445.111596	195.6
[M]+	424.13638142	196.1
[M]-	424.13747858	196.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.144206

192.8

[M+Na]+

447.126148

198.1

[M-H]-

423.129654

196.9

[M+NH4]+

442.170753

199.1

[M+K]+

463.100088

199.1

[M+H-H2O]+

407.134190

187.4

[M+HCOO]-

469.135131

199.0

[M+CH3COO]-

483.150781

219.3

[M+Na-2H]-

445.111596

195.6

[M]+

424.13638142

196.1

[M]-

424.13747858

196.1

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

(1'x,2s)-2-(1,2-dihydroxy-1-methylethyl)-2,3-dihydro-7h-furo[3,2-g][1]benzopyran-7-one 2'-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe