CID 513279

Chembl3350284

Structural Information

Molecular Formula
C12H17NO5
SMILES
CCOC(=O)C1=C(OC(=C1)[C@H]2[C@@H]([C@@H](CN2)O)O)C
InChI
InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10+,11-/m1/s1
InChIKey
HQEANUUDGAQVBA-DVVUODLYSA-N
Compound name
ethyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.11067 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11795 156.8
[M+Na]+ 278.09989 163.8
[M-H]- 254.10339 159.5
[M+NH4]+ 273.14449 172.9
[M+K]+ 294.07383 162.2
[M+H-H2O]+ 238.10793 151.5
[M+HCOO]- 300.10887 173.8
[M+CH3COO]- 314.12452 187.0
[M+Na-2H]- 276.08534 154.9
[M]+ 255.11012 156.8
[M]- 255.11122 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.