CID 203443

2-deoxystreptamine

Structural Information

Molecular Formula

C₆H₁₄N₂O₃

SMILES

C1[C@H]([C@@H](C([C@@H]([C@H]1N)O)O)O)N

InChI

InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6?

InChIKey

DTFAJAKTSMLKAT-KFJBKXNJSA-N

Compound name

(1R,3S,4R,6S)-4,6-diaminocyclohexane-1,2,3-triol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 111
References: 1925
Patents: 162.10045 Da
Monoisotopic Mass: -3.2
XlogP (predicted)

Profile

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]+	163.10773	132.2
[M+Na]+	185.08967	139.2
[M+NH4]+	180.13427	138.5
[M+K]+	201.06361	137.1
[M-H]-	161.09317	132.3
[M+Na-2H]-	183.07512	133.3
[M]+	162.09990	132.6
[M]-	162.10100	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe