PubChemLite - Alpha-ionol o-[arabinosyl-(1->6)-glucoside] (C24H40O10)

Structural Information

Molecular Formula

SMILES

CC1=CCCC(C1/C=C/C(C)OC2C(C(C(C(O2)COC3C(C(C(O3)CO)O)O)O)O)O)(C)C

InChI

InChI=1S/C24H40O10/c1-12-6-5-9-24(3,4)14(12)8-7-13(2)32-23-21(30)19(28)18(27)16(34-23)11-31-22-20(29)17(26)15(10-25)33-22/h6-8,13-23,25-30H,5,9-11H2,1-4H3/b8-7+

InChIKey

MITNBWXSDQNKSU-BQYQJAHWSA-N

Compound name

2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxyoxane-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]+	489.26943	214.6
[M+Na]+	511.25137	218.2
[M+NH4]+	506.29597	216.7
[M+K]+	527.22531	218.6
[M-H]-	487.25487	215.3
[M+Na-2H]-	509.23682	210.4
[M]+	488.26160	214.6
[M]-	488.26270	214.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.26943

214.6

[M+Na]+

511.25137

218.2

[M+NH4]+

506.29597

216.7

[M+K]+

527.22531

218.6

[M-H]-

487.25487

215.3

[M+Na-2H]-

509.23682

210.4

[M]+

488.26160

214.6

[M]-

488.26270

214.6

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

Alpha-ionol o-[arabinosyl-(1->6)-glucoside]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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