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]+ 190.07100 137.8
[M+Na]+ 212.05294 145.8
[M-H]- 188.05644 136.7
[M+NH4]+ 207.09754 157.0
[M+K]+ 228.02688 144.0
[M+H-H2O]+ 172.06098 134.2
[M+HCOO]- 234.06192 152.7
[M+CH3COO]- 248.07757 171.8
[M+Na-2H]- 210.03839 139.0
[M]+ 189.06317 134.8
[M]- 189.06427 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.