CID 85967727

1-azaspiro[4.4]nonan-3-one hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CCC2(C1)CC(=O)CN2
InChI
InChI=1S/C8H13NO/c10-7-5-8(9-6-7)3-1-2-4-8/h9H,1-6H2
InChIKey
CJJOINNKKUGWTM-UHFFFAOYSA-N
Compound name
1-azaspiro[4.4]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 132.0
[M+Na]+ 162.088938 138.4
[M-H]- 138.092444 134.6
[M+NH4]+ 157.133543 157.0
[M+K]+ 178.062878 136.2
[M+H-H2O]+ 122.096980 126.6
[M+HCOO]- 184.097921 151.7
[M+CH3COO]- 198.113571 166.9
[M+Na-2H]- 160.074386 135.2
[M]+ 139.09917142 125.1
[M]- 139.10026858 125.1
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.