CID 24970319

2428210-60-8

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C1C[C@@H]2CNC[C@@H]2C1
InChI
InChI=1S/C9H15NO2/c1-12-9(11)6-2-7-4-10-5-8(7)3-6/h6-8,10H,2-5H2,1H3/t6?,7-,8+
InChIKey
FHIJCASAUMRSAS-IEESLHIDSA-N
Compound name
methyl (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

169.11028 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe