PubChemLite - 69266-16-6 (C12H21N3O10)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)N=[N+]=[N-])CO)O)O)O)O

InChI

InChI=1S/C12H21N3O10/c13-15-14-11-8(21)7(20)10(4(2-17)23-11)25-12-9(22)6(19)5(18)3(1-16)24-12/h3-12,16-22H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1

InChIKey

FJOYNMRZUBUGGP-DCSYEGIMSA-N

Compound name

(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-azido-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-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]+	368.12996	178.5
[M+Na]+	390.11190	180.5
[M-H]-	366.11540	179.6
[M+NH4]+	385.15650	183.5
[M+K]+	406.08584	175.9
[M+H-H2O]+	350.11994	175.2
[M+HCOO]-	412.12088	190.5
[M+CH3COO]-	426.13653	206.4
[M+Na-2H]-	388.09735	181.6
[M]+	367.12213	172.5
[M]-	367.12323	172.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

368.12996

178.5

[M+Na]+

390.11190

180.5

[M-H]-

366.11540

179.6

[M+NH4]+

385.15650

183.5

[M+K]+

406.08584

175.9

[M+H-H2O]+

350.11994

175.2

[M+HCOO]-

412.12088

190.5

[M+CH3COO]-

426.13653

206.4

[M+Na-2H]-

388.09735

181.6

[M]+

367.12213

172.5

[M]-

367.12323

172.5

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

69266-16-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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