Chebi:146129 (C12H22O11)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1

InChIKey

WOHYVFWWTVNXTP-TWOHWVPZSA-N

Compound name

(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(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]+	343.123476	167.0
[M+Na]+	365.105418	171.8
[M-H]-	341.108924	164.9
[M+NH4]+	360.150023	179.7
[M+K]+	381.079358	171.9
[M+H-H2O]+	325.113460	165.8
[M+HCOO]-	387.114401	175.2
[M+CH3COO]-	401.130051	193.3
[M+Na-2H]-	363.090866	168.2
[M]+	342.11565142	167.8
[M]-	342.11674858	167.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

343.123476

167.0

[M+Na]+

365.105418

171.8

[M-H]-

341.108924

164.9

[M+NH4]+

360.150023

179.7

[M+K]+

381.079358

171.9

[M+H-H2O]+

325.113460

165.8

[M+HCOO]-

387.114401

175.2

[M+CH3COO]-

401.130051

193.3

[M+Na-2H]-

363.090866

168.2

[M]+

342.11565142

167.8

[M]-

342.11674858

167.8

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

Chebi:146129

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe