CID 155943880

Rac-6-tert-butyl 3-ethyl (3r,4ar,7ar)-octahydropyrrolo[3,4-b][1,4]oxazine-3,6-dicarboxylate

Structural Information

Molecular Formula
C14H24N2O5
SMILES
CCOC(=O)[C@@H]1CO[C@H]2CN(C[C@@H]2N1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H24N2O5/c1-5-19-12(17)10-8-20-11-7-16(6-9(11)15-10)13(18)21-14(2,3)4/h9-11,15H,5-8H2,1-4H3/t9-,10-,11-/m0/s1
InChIKey
OSUXWAOEEBRENI-DCAQKATOSA-N
Compound name
6-O-tert-butyl 3-O-ethyl (3S,4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-3,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16852 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17580 171.7
[M+Na]+ 323.15774 175.9
[M-H]- 299.16124 171.7
[M+NH4]+ 318.20234 185.0
[M+K]+ 339.13168 176.0
[M+H-H2O]+ 283.16578 165.5
[M+HCOO]- 345.16672 182.2
[M+CH3COO]- 359.18237 198.9
[M+Na-2H]- 321.14319 172.0
[M]+ 300.16797 171.6
[M]- 300.16907 171.6
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.