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 168.9
[M+Na]+ 320.14684 174.3
[M+NH4]+ 315.19144 173.6
[M+K]+ 336.12078 175.9
[M-H]- 296.15034 165.8
[M+Na-2H]- 318.13229 166.9
[M]+ 297.15707 168.1
[M]- 297.15817 168.1
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