PubChemLite - Pullulan (C23H42O16)

Structural Information

Molecular Formula

SMILES

COCC1C(C(C(C(O1)COCC2C(OC(C(C2O)O)COCC3C(OC(C(C3O)O)O)CO)CO)O)O)O

InChI

InChI=1S/C23H42O16/c1-34-6-13-19(29)21(31)20(30)15(38-13)8-35-4-9-11(2-24)37-14(18(28)16(9)26)7-36-5-10-12(3-25)39-23(33)22(32)17(10)27/h9-33H,2-8H2,1H3

InChIKey

ZYEIDZAYGZWEBD-UHFFFAOYSA-N

Compound name

5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]methoxymethyl]oxan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-2,3,4-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]+	575.25458	227.4
[M+Na]+	597.23652	226.8
[M-H]-	573.24002	219.0
[M+NH4]+	592.28112	226.1
[M+K]+	613.21046	226.4
[M+H-H2O]+	557.24456	221.0
[M+HCOO]-	619.24550	228.2
[M+CH3COO]-	633.26115	247.6
[M+Na-2H]-	595.22197	251.1
[M]+	574.24675	222.7
[M]-	574.24785	222.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

575.25458

227.4

[M+Na]+

597.23652

226.8

[M-H]-

573.24002

219.0

[M+NH4]+

592.28112

226.1

[M+K]+

613.21046

226.4

[M+H-H2O]+

557.24456

221.0

[M+HCOO]-

619.24550

228.2

[M+CH3COO]-

633.26115

247.6

[M+Na-2H]-

595.22197

251.1

[M]+

574.24675

222.7

[M]-

574.24785

222.7

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

Pullulan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe