CID 16078197

.alpha.-ams

Structural Information

Molecular Formula
C8H19N3O4
SMILES
C(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)N)N
InChI
InChI=1S/C8H19N3O4/c9-1-2-14-8-5(11)7(13)6(12)4(3-10)15-8/h4-8,12-13H,1-3,9-11H2/t4-,5-,6-,7-,8+/m1/s1
InChIKey
OFSUZZJODRLKEM-PVFLNQBWSA-N
Compound name
(2R,3S,4R,5R,6S)-5-amino-6-(2-aminoethoxy)-2-(aminomethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

221.13756 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14484 150.2
[M+Na]+ 244.12678 154.9
[M-H]- 220.13028 150.2
[M+NH4]+ 239.17138 164.5
[M+K]+ 260.10072 154.1
[M+H-H2O]+ 204.13482 143.6
[M+HCOO]- 266.13576 168.5
[M+CH3COO]- 280.15141 192.2
[M+Na-2H]- 242.11223 150.7
[M]+ 221.13701 144.4
[M]- 221.13811 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.