CID 167714411

En300-45186722

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)[C@@H]1C[C@@H]2C[C@H]1CNC2
InChI
InChI=1S/C9H15NO2/c1-12-9(11)8-3-6-2-7(8)5-10-4-6/h6-8,10H,2-5H2,1H3/t6-,7-,8+/m0/s1
InChIKey
QIOVWKVAMOKHJM-BIIVOSGPSA-N
Compound name
methyl (1S,5R,6R)-3-azabicyclo[3.2.1]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.1
[M+Na]+ 192.09950 143.6
[M-H]- 168.10300 137.6
[M+NH4]+ 187.14410 159.8
[M+K]+ 208.07344 141.8
[M+H-H2O]+ 152.10754 132.8
[M+HCOO]- 214.10848 154.1
[M+CH3COO]- 228.12413 175.9
[M+Na-2H]- 190.08495 141.5
[M]+ 169.10973 134.2
[M]- 169.11083 134.2
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

No patent data available for this compound.