CID 51358337

7-azaspiro[3.5]nonan-2-one hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CNCCC12CC(=O)C2
InChI
InChI=1S/C8H13NO/c10-7-5-8(6-7)1-3-9-4-2-8/h9H,1-6H2
InChIKey
RQQHBATVNAPEIV-UHFFFAOYSA-N
Compound name
7-azaspiro[3.5]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

139.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 127.0
[M+Na]+ 162.088938 131.8
[M-H]- 138.092444 129.4
[M+NH4]+ 157.133543 142.2
[M+K]+ 178.062878 132.7
[M+H-H2O]+ 122.096980 116.9
[M+HCOO]- 184.097921 143.6
[M+CH3COO]- 198.113571 172.4
[M+Na-2H]- 160.074386 133.7
[M]+ 139.09917142 128.7
[M]- 139.10026858 128.7
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

patents stripe