CID 417897

1-azabicyclo[3.3.1]nonan-4-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2CN(C1)CCC2=O
InChI
InChI=1S/C8H13NO/c10-8-3-5-9-4-1-2-7(8)6-9/h7H,1-6H2
InChIKey
SAFJJNGLNXXSMQ-UHFFFAOYSA-N
Compound name
1-azabicyclo[3.3.1]nonan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

139.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.1
[M+Na]+ 162.088938 133.7
[M-H]- 138.092444 128.7
[M+NH4]+ 157.133543 149.8
[M+K]+ 178.062878 132.1
[M+H-H2O]+ 122.096980 122.1
[M+HCOO]- 184.097921 144.5
[M+CH3COO]- 198.113571 173.7
[M+Na-2H]- 160.074386 135.3
[M]+ 139.09917142 122.7
[M]- 139.10026858 122.7
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