PubChemLite - Levan (C18H32O16)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O

InChI

InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1

InChIKey

ZFTFOHBYVDOAMH-XNOIKFDKSA-N

Compound name

(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)oxolane-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]+	505.17632	206.4
[M+Na]+	527.15826	205.7
[M+NH4]+	522.20286	204.9
[M+K]+	543.13220	209.4
[M-H]-	503.16176	197.4
[M+Na-2H]-	525.14371	211.3
[M]+	504.16849	202.7
[M]-	504.16959	202.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.17632

206.4

[M+Na]+

527.15826

205.7

[M+NH4]+

522.20286

204.9

[M+K]+

543.13220

209.4

[M-H]-

503.16176

197.4

[M+Na-2H]-

525.14371

211.3

[M]+

504.16849

202.7

[M]-

504.16959

202.7

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

Levan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe