CID 13345331

2193051-99-7

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1
InChI
InChI=1S/C9H15NO2/c1-12-9(11)8-5-6-3-2-4-7(6)10-8/h6-8,10H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKey
KHNGVUACYGTMPC-FXQIFTODSA-N
Compound name
methyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 139.9
[M+Na]+ 192.09950 145.9
[M-H]- 168.10300 141.2
[M+NH4]+ 187.14410 162.7
[M+K]+ 208.07344 144.3
[M+H-H2O]+ 152.10754 134.5
[M+HCOO]- 214.10848 158.2
[M+CH3COO]- 228.12413 174.8
[M+Na-2H]- 190.08495 140.8
[M]+ 169.10973 136.2
[M]- 169.11083 136.2
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