PubChemLite - 1-o-e-cinnamoyl-(6-arabinosylglucose) (C20H26O11)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+

InChIKey

XEEBIXBFIAEQFZ-VOTSOKGWSA-N

Compound name

[6-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-phenylprop-2-enoate

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]+	443.15480	200.3
[M+Na]+	465.13674	205.3
[M+NH4]+	460.18134	200.9
[M+K]+	481.11068	208.0
[M-H]-	441.14024	200.8
[M+Na-2H]-	463.12219	196.8
[M]+	442.14697	200.2
[M]-	442.14807	200.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.15480

200.3

[M+Na]+

465.13674

205.3

[M+NH4]+

460.18134

200.9

[M+K]+

481.11068

208.0

[M-H]-

441.14024

200.8

[M+Na-2H]-

463.12219

196.8

[M]+

442.14697

200.2

[M]-

442.14807

200.2

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

1-o-e-cinnamoyl-(6-arabinosylglucose)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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