CID 167726765

2919940-37-5

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]+ 160.060436 129.4
[M+Na]+ 182.042378 137.3
[M-H]- 158.045884 127.8
[M+NH4]+ 177.086983 149.3
[M+K]+ 198.016318 135.8
[M+H-H2O]+ 142.050420 125.4
[M+HCOO]- 204.051361 143.7
[M+CH3COO]- 218.067011 168.6
[M+Na-2H]- 180.027826 134.5
[M]+ 159.05261142 125.9
[M]- 159.05370858 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.