CID 167726765

(1s,5r,6s,7s)-6,7-dihydroxy-2-oxa-4-azabicyclo[3.2.1]octan-3-one

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1[C@@H]2[C@@H]([C@@H]([C@H]1OC(=O)N2)O)O
InChI
InChI=1S/C6H9NO4/c8-4-2-1-3(5(4)9)11-6(10)7-2/h2-5,8-9H,1H2,(H,7,10)/t2-,3+,4+,5-/m1/s1
InChIKey
UZTCNUDHOQACLE-MGCNEYSASA-N
Compound name
(1S,5R,6S,7S)-6,7-dihydroxy-2-oxa-4-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.05316 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 129.4
[M+Na]+ 182.04238 137.3
[M-H]- 158.04588 127.8
[M+NH4]+ 177.08698 149.3
[M+K]+ 198.01632 135.8
[M+H-H2O]+ 142.05042 125.4
[M+HCOO]- 204.05136 143.7
[M+CH3COO]- 218.06701 168.6
[M+Na-2H]- 180.02783 134.5
[M]+ 159.05261 125.9
[M]- 159.05371 125.9
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.