CID 124660368

Rac-methyl (3ar,6as)-octahydrocyclopenta[b]pyrrole-3a-carboxylate

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)[C@]12CCC[C@H]1NCC2
InChI
InChI=1S/C9H15NO2/c1-12-8(11)9-4-2-3-7(9)10-6-5-9/h7,10H,2-6H2,1H3/t7-,9+/m1/s1
InChIKey
HRTPFAHCMCRODE-APPZFPTMSA-N
Compound name
methyl (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 139.7
[M+Na]+ 192.09950 146.8
[M+NH4]+ 187.14410 149.1
[M+K]+ 208.07344 143.9
[M-H]- 168.10300 138.9
[M+Na-2H]- 190.08495 142.4
[M]+ 169.10973 140.1
[M]- 169.11083 140.1
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.