CID 155821288

Rac-2-tert-butyl 1-ethyl (1r,3as,4r,6ar)-4-amino-octahydrocyclopenta[c]pyrrole-1,2-dicarboxylate hydrochloride

Structural Information

Molecular Formula
C15H26N2O4
SMILES
CCOC(=O)[C@@H]1[C@H]2CC[C@@H]([C@H]2CN1C(=O)OC(C)(C)C)N
InChI
InChI=1S/C15H26N2O4/c1-5-20-13(18)12-9-6-7-11(16)10(9)8-17(12)14(19)21-15(2,3)4/h9-12H,5-8,16H2,1-4H3/t9-,10-,11-,12-/m0/s1
InChIKey
MZRXFKLRIKSJTG-BJDJZHNGSA-N
Compound name
2-O-tert-butyl 3-O-ethyl (3S,3aS,6S,6aR)-6-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.18927 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19655 173.8
[M+Na]+ 321.17849 178.7
[M-H]- 297.18199 176.1
[M+NH4]+ 316.22309 192.2
[M+K]+ 337.15243 177.9
[M+H-H2O]+ 281.18653 168.8
[M+HCOO]- 343.18747 190.0
[M+CH3COO]- 357.20312 204.7
[M+Na-2H]- 319.16394 171.0
[M]+ 298.18872 174.1
[M]- 298.18982 174.1
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

No patent data available for this compound.