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]+ 184.133206 142.8
[M+Na]+ 206.115148 147.8
[M-H]- 182.118654 142.0
[M+NH4]+ 201.159753 163.9
[M+K]+ 222.089088 145.7
[M+H-H2O]+ 166.123190 137.2
[M+HCOO]- 228.124131 158.4
[M+CH3COO]- 242.139781 178.9
[M+Na-2H]- 204.100596 145.6
[M]+ 183.12538142 139.2
[M]- 183.12647858 139.2
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.