PubChemLite - Scleroglucan (C24H44O20P2)

Structural Information

Molecular Formula

SMILES

C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)P)CO)O)O)OC4C(C(C(C(O4)CO)O)OP)O)O)O)O)O)O

InChI

InChI=1S/C24H44O20P2/c25-1-5-9(28)13(32)14(33)21(38-5)37-4-8-12(31)18(42-23-16(35)20(44-46)11(30)6(2-26)39-23)15(34)22(40-8)43-19-10(29)7(3-27)41-24(45)17(19)36/h5-36H,1-4,45-46H2

InChIKey

FEBUJFMRSBAMES-UHFFFAOYSA-N

Compound name

2-[[6-[3,5-dihydroxy-2-(hydroxymethyl)-6-phosphanyloxan-4-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-phosphanyloxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-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]+	715.19738	250.5
[M+Na]+	737.17932	249.7
[M-H]-	713.18282	246.2
[M+NH4]+	732.22392	249.9
[M+K]+	753.15326	250.7
[M+H-H2O]+	697.18736	248.5
[M+HCOO]-	759.18830	251.7
[M+CH3COO]-	773.20395	255.5
[M+Na-2H]-	735.16477	274.1
[M]+	714.18955	240.9
[M]-	714.19065	240.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

715.19738

250.5

[M+Na]+

737.17932

249.7

[M-H]-

713.18282

246.2

[M+NH4]+

732.22392

249.9

[M+K]+

753.15326

250.7

[M+H-H2O]+

697.18736

248.5

[M+HCOO]-

759.18830

251.7

[M+CH3COO]-

773.20395

255.5

[M+Na-2H]-

735.16477

274.1

[M]+

714.18955

240.9

[M]-

714.19065

240.9

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

Scleroglucan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe