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

1991
Patents

162.10045 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.10773 134.3
[M+Na]+ 185.08967 140.5
[M-H]- 161.09317 133.2
[M+NH4]+ 180.13427 152.4
[M+K]+ 201.06361 138.2
[M+H-H2O]+ 145.09771 129.5
[M+HCOO]- 207.09865 152.1
[M+CH3COO]- 221.11430 176.2
[M+Na-2H]- 183.07512 135.1
[M]+ 162.09990 125.6
[M]- 162.10100 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe