CID 59815602

1-azabicyclo[3.2.2]nonan-6-one hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2CCN(C1)CC2=O
InChI
InChI=1S/C8H13NO/c10-8-6-9-4-1-2-7(8)3-5-9/h7H,1-6H2
InChIKey
ISLLUKSDGQINCM-UHFFFAOYSA-N
Compound name
1-azabicyclo[3.2.2]nonan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

139.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 135.5
[M+Na]+ 162.088938 143.5
[M-H]- 138.092444 136.1
[M+NH4]+ 157.133543 157.2
[M+K]+ 178.062878 140.9
[M+H-H2O]+ 122.096980 136.1
[M+HCOO]- 184.097921 147.1
[M+CH3COO]- 198.113571 146.2
[M+Na-2H]- 160.074386 146.2
[M]+ 139.09917142 133.6
[M]- 139.10026858 133.6
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