PubChemLite - Kanamine (C12H25N3O7)

Structural Information

Molecular Formula

SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O)N

InChI

InChI=1S/C12H25N3O7/c13-2-5-7(17)8(18)10(20)12(21-5)22-11-4(15)1-3(14)6(16)9(11)19/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6+,7-,8+,9-,10-,11-,12-/m1/s1

InChIKey

AWRLKTYNEGEURZ-JCLMPDJQSA-N

Compound name

(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-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]+	324.17653	173.0
[M+Na]+	346.15847	176.0
[M+NH4]+	341.20307	175.3
[M+K]+	362.13241	177.2
[M-H]-	322.16197	173.6
[M+Na-2H]-	344.14392	169.0
[M]+	323.16870	172.5
[M]-	323.16980	172.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

324.17653

173.0

[M+Na]+

346.15847

176.0

[M+NH4]+

341.20307

175.3

[M+K]+

362.13241

177.2

[M-H]-

322.16197

173.6

[M+Na-2H]-

344.14392

169.0

[M]+

323.16870

172.5

[M]-

323.16980

172.5

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

Kanamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe