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]+ 155.11789 133.1
[M+Na]+ 177.09983 139.6
[M-H]- 153.10333 132.4
[M+NH4]+ 172.14443 157.0
[M+K]+ 193.07377 136.6
[M+H-H2O]+ 137.10787 128.2
[M+HCOO]- 199.10881 150.6
[M+CH3COO]- 213.12446 174.4
[M+Na-2H]- 175.08528 138.9
[M]+ 154.11006 126.8
[M]- 154.11116 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.