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]+ 132.06552 124.2
[M+Na]+ 154.04746 132.2
[M-H]- 130.05096 122.8
[M+NH4]+ 149.09206 146.8
[M+K]+ 170.02140 131.2
[M+H-H2O]+ 114.05550 120.7
[M+HCOO]- 176.05644 140.7
[M+CH3COO]- 190.07209 163.0
[M+Na-2H]- 152.03291 128.9
[M]+ 131.05769 121.3
[M]- 131.05879 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.