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

5
Patents

297.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.164896 171.0
[M+Na]+ 320.146838 177.1
[M-H]- 296.150344 173.9
[M+NH4]+ 315.191443 189.9
[M+K]+ 336.120778 176.5
[M+H-H2O]+ 280.154880 166.5
[M+HCOO]- 342.155821 187.2
[M+CH3COO]- 356.171471 201.5
[M+Na-2H]- 318.132286 168.9
[M]+ 297.15707142 173.8
[M]- 297.15816858 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