CID 138991493

Rac-(1r,4s,5r,6r)-2-oxa-3-azabicyclo[2.2.1]heptane-5,6-diol hydrochloride

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1[C@@H]2[C@@H]([C@@H]([C@H]1ON2)O)O
InChI
InChI=1S/C5H9NO3/c7-4-2-1-3(5(4)8)9-6-2/h2-8H,1H2/t2-,3+,4+,5-/m1/s1
InChIKey
QKFYHSGAESAXJM-MGCNEYSASA-N
Compound name
(1S,4R,5S,6S)-2-oxa-3-azabicyclo[2.2.1]heptane-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.05824 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 124.2
[M+Na]+ 154.047458 132.2
[M-H]- 130.050964 122.8
[M+NH4]+ 149.092063 146.8
[M+K]+ 170.021398 131.2
[M+H-H2O]+ 114.055500 120.7
[M+HCOO]- 176.056441 140.7
[M+CH3COO]- 190.072091 163.0
[M+Na-2H]- 152.032906 128.9
[M]+ 131.05769142 121.3
[M]- 131.05878858 121.3
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.