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]+ 140.10700 132.0
[M+Na]+ 162.08894 138.4
[M-H]- 138.09244 134.6
[M+NH4]+ 157.13354 157.0
[M+K]+ 178.06288 136.2
[M+H-H2O]+ 122.09698 126.6
[M+HCOO]- 184.09792 151.7
[M+CH3COO]- 198.11357 166.9
[M+Na-2H]- 160.07439 135.2
[M]+ 139.09917 125.1
[M]- 139.10027 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.