PubChemLite - Refchem:771514 (C18H32O16)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

MKTLQAHFLNFLEU-WTORHHNNSA-N

Compound name

(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(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	202.0
[M+Na]+	527.15826	203.1
[M-H]-	503.16176	198.8
[M+NH4]+	522.20286	202.4
[M+K]+	543.13220	212.1
[M+H-H2O]+	487.16630	194.9
[M+HCOO]-	549.16724	204.8
[M+CH3COO]-	563.18289	209.5
[M+Na-2H]-	525.14371	214.4
[M]+	504.16849	193.7
[M]-	504.16959	193.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.17632

202.0

[M+Na]+

527.15826

203.1

[M-H]-

503.16176

198.8

[M+NH4]+

522.20286

202.4

[M+K]+

543.13220

212.1

[M+H-H2O]+

487.16630

194.9

[M+HCOO]-

549.16724

204.8

[M+CH3COO]-

563.18289

209.5

[M+Na-2H]-

525.14371

214.4

[M]+

504.16849

193.7

[M]-

504.16959

193.7

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

Refchem:771514

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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