PubChemLite - 104343-33-1 (C13H25NO10)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](N1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C13H25NO10/c15-1-4-7(17)10(20)8(18)5(14-4)3-23-13-12(22)11(21)9(19)6(2-16)24-13/h4-22H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12-,13-/m1/s1

InChIKey

VCIPQQCYKMORDY-KBYFLBCBSA-N

Compound name

(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-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]+	356.15514	181.1
[M+Na]+	378.13708	183.6
[M-H]-	354.14058	174.8
[M+NH4]+	373.18168	185.3
[M+K]+	394.11102	181.8
[M+H-H2O]+	338.14512	174.4
[M+HCOO]-	400.14606	182.6
[M+CH3COO]-	414.16171	199.8
[M+Na-2H]-	376.12253	176.1
[M]+	355.14731	174.4
[M]-	355.14841	174.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

356.15514

181.1

[M+Na]+

378.13708

183.6

[M-H]-

354.14058

174.8

[M+NH4]+

373.18168

185.3

[M+K]+

394.11102

181.8

[M+H-H2O]+

338.14512

174.4

[M+HCOO]-

400.14606

182.6

[M+CH3COO]-

414.16171

199.8

[M+Na-2H]-

376.12253

176.1

[M]+

355.14731

174.4

[M]-

355.14841

174.4

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

104343-33-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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