PubChemLite - Ztduigvzkpfwox-uxopgxdtsa- (C32H64O8)

Structural Information

Molecular Formula

SMILES

C[C@H](CCCCCCCCCCCCCCCCCCCCC[C@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O

InChI

InChI=1S/C32H64O8/c1-26(34)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-27(35)23-24-39-32-31(38)30(37)29(36)28(25-33)40-32/h26-38H,2-25H2,1H3/t26-,27-,28-,29-,30+,31-,32+/m1/s1

InChIKey

ZTDUIGVZKPFWOX-UXOPGXDTSA-N

Compound name

(2S,3R,4S,5S,6R)-2-[(3R,25R)-3,25-dihydroxyhexacosoxy]-6-(hydroxymethyl)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]+	577.46742	249.0
[M+Na]+	599.44936	248.6
[M-H]-	575.45286	237.5
[M+NH4]+	594.49396	241.4
[M+K]+	615.42330	247.7
[M+H-H2O]+	559.45740	242.2
[M+HCOO]-	621.45834	254.8
[M+CH3COO]-	635.47399	249.6
[M+Na-2H]-	597.43481	239.0
[M]+	576.45959	243.4
[M]-	576.46069	243.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.46742

249.0

[M+Na]+

599.44936

248.6

[M-H]-

575.45286

237.5

[M+NH4]+

594.49396

241.4

[M+K]+

615.42330

247.7

[M+H-H2O]+

559.45740

242.2

[M+HCOO]-

621.45834

254.8

[M+CH3COO]-

635.47399

249.6

[M+Na-2H]-

597.43481

239.0

[M]+

576.45959

243.4

[M]-

576.46069

243.4

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

Ztduigvzkpfwox-uxopgxdtsa-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe