PubChemLite - Allyl sucrose (C15H26O11)

Structural Information

Molecular Formula

SMILES

C=CC[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC2([C@H]([C@@H]([C@H](O2)CO)O)O)CO

InChI

InChI=1S/C15H26O11/c1-2-3-14(13(23)11(21)9(19)7(4-16)24-14)26-15(6-18)12(22)10(20)8(5-17)25-15/h2,7-13,16-23H,1,3-6H2/t7-,8-,9-,10-,11+,12+,13-,14+,15?/m1/s1

InChIKey

YAOZAZMSHCJIOT-YGWDQKNVSA-N

Compound name

(2S,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-prop-2-enyloxane-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]+	383.15480	180.9
[M+Na]+	405.13674	185.0
[M-H]-	381.14024	178.2
[M+NH4]+	400.18134	190.4
[M+K]+	421.11068	184.6
[M+H-H2O]+	365.14478	178.3
[M+HCOO]-	427.14572	186.0
[M+CH3COO]-	441.16137	203.6
[M+Na-2H]-	403.12219	180.6
[M]+	382.14697	180.5
[M]-	382.14807	180.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.15480

180.9

[M+Na]+

405.13674

185.0

[M-H]-

381.14024

178.2

[M+NH4]+

400.18134

190.4

[M+K]+

421.11068

184.6

[M+H-H2O]+

365.14478

178.3

[M+HCOO]-

427.14572

186.0

[M+CH3COO]-

441.16137

203.6

[M+Na-2H]-

403.12219

180.6

[M]+

382.14697

180.5

[M]-

382.14807

180.5

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

Allyl sucrose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe