PubChemLite - Tetramethylchromanol glucoside (C20H30O7)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=C(CCC(O2)(C)C[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=C1O)C)C

InChI

InChI=1S/C20H30O7/c1-9-10(2)19-12(11(3)15(9)22)5-6-20(4,27-19)7-13-16(23)18(25)17(24)14(8-21)26-13/h13-14,16-18,21-25H,5-8H2,1-4H3/t13-,14-,16+,17-,18-,20?/m1/s1

InChIKey

GFTUVGXUYWIPMI-BHMOCAHYSA-N

Compound name

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl]oxane-3,4,5-triol

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]+	383.20644	190.7
[M+Na]+	405.18838	200.7
[M+NH4]+	400.23298	196.7
[M+K]+	421.16232	196.0
[M-H]-	381.19188	193.9
[M+Na-2H]-	403.17383	190.4
[M]+	382.19861	192.9
[M]-	382.19971	192.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.20644

190.7

[M+Na]+

405.18838

200.7

[M+NH4]+

400.23298

196.7

[M+K]+

421.16232

196.0

[M-H]-

381.19188

193.9

[M+Na-2H]-

403.17383

190.4

[M]+

382.19861

192.9

[M]-

382.19971

192.9

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

Tetramethylchromanol glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe