CID 137952074

5-(aminomethyl)-6-azabicyclo[3.2.1]octan-7-one

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1CC2CC(C1)(NC2=O)CN
InChI
InChI=1S/C8H14N2O/c9-5-8-3-1-2-6(4-8)7(11)10-8/h6H,1-5,9H2,(H,10,11)
InChIKey
ALCXFZKSKLDIRN-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-6-azabicyclo[3.2.1]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 133.1
[M+Na]+ 177.099828 139.6
[M-H]- 153.103334 132.4
[M+NH4]+ 172.144433 157.0
[M+K]+ 193.073768 136.6
[M+H-H2O]+ 137.107870 128.2
[M+HCOO]- 199.108811 150.6
[M+CH3COO]- 213.124461 174.4
[M+Na-2H]- 175.085276 138.9
[M]+ 154.11006142 126.8
[M]- 154.11115858 126.8
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.