CID 10330131

138395-78-5

Structural Information

Molecular Formula
C7H11NO5
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)N2)O)O)O
InChI
InChI=1S/C7H11NO5/c9-1-2-4(10)5(11)3-6(2)13-7(12)8-3/h2-6,9-11H,1H2,(H,8,12)/t2-,3-,4-,5-,6+/m1/s1
InChIKey
ZLBJEOOWHZIUMH-UKFBFLRUSA-N
Compound name
(3aR,4R,5R,6R,6aS)-4,5-dihydroxy-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.06372 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.070996 137.8
[M+Na]+ 212.052938 145.8
[M-H]- 188.056444 136.7
[M+NH4]+ 207.097543 157.0
[M+K]+ 228.026878 144.0
[M+H-H2O]+ 172.060980 134.2
[M+HCOO]- 234.061921 152.7
[M+CH3COO]- 248.077571 171.8
[M+Na-2H]- 210.038386 139.0
[M]+ 189.06317142 134.8
[M]- 189.06426858 134.8
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.