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

127
Patents

139.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 128.1
[M+Na]+ 162.08894 133.7
[M-H]- 138.09244 128.7
[M+NH4]+ 157.13354 149.8
[M+K]+ 178.06288 132.1
[M+H-H2O]+ 122.09698 122.1
[M+HCOO]- 184.09792 144.5
[M+CH3COO]- 198.11357 173.7
[M+Na-2H]- 160.07439 135.3
[M]+ 139.09917 122.7
[M]- 139.10027 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