CID 70834999

1648739-43-8

Structural Information

Molecular Formula
C15H23NO5
SMILES
CCOC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]2CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C15H23NO5/c1-5-20-13(18)12-9-6-7-11(17)10(9)8-16(12)14(19)21-15(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10-,12-/m0/s1
InChIKey
LMRREUVKWATQOD-NHCYSSNCSA-N
Compound name
2-O-tert-butyl 3-O-ethyl (3S,3aS,6aR)-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16490 171.0
[M+Na]+ 320.14684 177.1
[M-H]- 296.15034 173.9
[M+NH4]+ 315.19144 189.9
[M+K]+ 336.12078 176.5
[M+H-H2O]+ 280.15488 166.5
[M+HCOO]- 342.15582 187.2
[M+CH3COO]- 356.17147 201.5
[M+Na-2H]- 318.13229 168.9
[M]+ 297.15707 173.8
[M]- 297.15817 173.8
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

patents stripe