CID 177785858

Tert-butyl (3r,3ar,6ar)-3-amino-octahydrocyclopenta[b]pyrrole-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@@H]2[C@H]1CCC2)N
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9(13)8-5-4-6-10(8)14/h8-10H,4-7,13H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey
DLFHCLDUJUBJOH-KXUCPTDWSA-N
Compound name
tert-butyl (3R,3aR,6aR)-3-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 156.6
[M+Na]+ 249.15734 162.2
[M-H]- 225.16084 158.9
[M+NH4]+ 244.20194 177.8
[M+K]+ 265.13128 160.9
[M+H-H2O]+ 209.16538 151.4
[M+HCOO]- 271.16632 174.2
[M+CH3COO]- 285.18197 190.8
[M+Na-2H]- 247.14279 156.4
[M]+ 226.16757 153.9
[M]- 226.16867 153.9
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.