PubChemLite - 75802-23-2 (C12H23NO10)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@H](C([C@H]([C@H]2O)O)O)O)O)N)O)O)O

InChI

InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6?,7-,8+,9-,10-,11?,12-/m1/s1

InChIKey

HEPUIGACZYVUCD-XFVWJBEHSA-N

Compound name

(1R,2R,4S,5R)-6-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol

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]+	342.13948	173.6
[M+Na]+	364.12142	177.0
[M+NH4]+	359.16602	174.6
[M+K]+	380.09536	179.8
[M-H]-	340.12492	171.2
[M+Na-2H]-	362.10687	168.0
[M]+	341.13165	172.3
[M]-	341.13275	172.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

342.13948

173.6

[M+Na]+

364.12142

177.0

[M+NH4]+

359.16602

174.6

[M+K]+

380.09536

179.8

[M-H]-

340.12492

171.2

[M+Na-2H]-

362.10687

168.0

[M]+

341.13165

172.3

[M]-

341.13275

172.3

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

75802-23-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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