CID 55299851

Rac-(1r,2r,3s,5s)-8-azabicyclo[3.2.1]octane-2,3-diol hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1C[C@H]2[C@@H]([C@@H](C[C@@H]1N2)O)O
InChI
InChI=1S/C7H13NO2/c9-6-3-4-1-2-5(8-4)7(6)10/h4-10H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKey
OEDAMXNBLKMAAL-UCROKIRRSA-N
Compound name
(1S,2S,3R,5R)-8-azabicyclo[3.2.1]octane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 129.0
[M+Na]+ 166.08386 137.4
[M+NH4]+ 161.12846 137.3
[M+K]+ 182.05780 134.8
[M-H]- 142.08736 127.6
[M+Na-2H]- 164.06931 129.4
[M]+ 143.09409 129.3
[M]- 143.09519 129.3
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

No patent data available for this compound.