CID 138991493

2309433-07-4

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 123.4
[M+Na]+ 154.04746 131.0
[M+NH4]+ 149.09206 131.0
[M+K]+ 170.02140 131.9
[M-H]- 130.05096 122.2
[M+Na-2H]- 152.03291 122.5
[M]+ 131.05769 123.6
[M]- 131.05879 123.6
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.