CID 137963964

2225144-14-7

Structural Information

Molecular Formula
C15H24N2O5
SMILES
CC(C)(C)OC(=O)N1CC2(C1)[C@@H]3CNC[C@@]3(CO2)C(=O)OC
InChI
InChI=1S/C15H24N2O5/c1-13(2,3)22-12(19)17-7-15(8-17)10-5-16-6-14(10,9-21-15)11(18)20-4/h10,16H,5-9H2,1-4H3/t10-,14+/m1/s1
InChIKey
LJCAGQBKKRGTTP-YGRLFVJLSA-N
Compound name
1-O'-tert-butyl 6a-O-methyl (3aS,6aS)-spiro[3a,4,5,6-tetrahydro-1H-furo[3,4-c]pyrrole-3,3'-azetidine]-1',6a-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16852 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17580 172.4
[M+Na]+ 335.15774 175.8
[M-H]- 311.16124 175.1
[M+NH4]+ 330.20234 184.4
[M+K]+ 351.13168 178.8
[M+H-H2O]+ 295.16578 164.3
[M+HCOO]- 357.16672 182.8
[M+CH3COO]- 371.18237 201.1
[M+Na-2H]- 333.14319 174.0
[M]+ 312.16797 181.4
[M]- 312.16907 181.4
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.