CID 165950609

Rac-methyl 2-[(1r,5r,6r)-3-azabicyclo[3.2.1]octan-6-yl]acetate hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC(=O)C[C@@H]1C[C@H]2C[C@@H]1CNC2
InChI
InChI=1S/C10H17NO2/c1-13-10(12)4-8-2-7-3-9(8)6-11-5-7/h7-9,11H,2-6H2,1H3/t7-,8-,9+/m0/s1
InChIKey
BGBPEAWKXNIMRQ-XHNCKOQMSA-N
Compound name
methyl 2-[(1S,5S,6S)-3-azabicyclo[3.2.1]octan-6-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 142.0
[M+Na]+ 206.11515 150.3
[M+NH4]+ 201.15975 150.2
[M+K]+ 222.08909 146.8
[M-H]- 182.11865 141.2
[M+Na-2H]- 204.10060 142.7
[M]+ 183.12538 142.5
[M]- 183.12648 142.5
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.