CID 112756567

9-amino-5-azaspiro[3.5]nonan-6-one

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1CC2(C1)C(CCC(=O)N2)N
InChI
InChI=1S/C8H14N2O/c9-6-2-3-7(11)10-8(6)4-1-5-8/h6H,1-5,9H2,(H,10,11)
InChIKey
XKJCZOVDARJKFM-UHFFFAOYSA-N
Compound name
9-amino-5-azaspiro[3.5]nonan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 133.1
[M+Na]+ 177.099828 137.7
[M-H]- 153.103334 135.1
[M+NH4]+ 172.144433 147.3
[M+K]+ 193.073768 138.3
[M+H-H2O]+ 137.107870 122.4
[M+HCOO]- 199.108811 149.8
[M+CH3COO]- 213.124461 177.5
[M+Na-2H]- 175.085276 138.1
[M]+ 154.11006142 133.4
[M]- 154.11115858 133.4
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.