CID 21146863

3-azabicyclo[3.3.1]nonan-7-one hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
C1C2CC(=O)CC1CNC2
InChI
InChI=1S/C8H13NO/c10-8-2-6-1-7(3-8)5-9-4-6/h6-7,9H,1-5H2
InChIKey
GZTCZCDQPIZEME-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.3.1]nonan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 128.7
[M+Na]+ 162.088938 134.0
[M-H]- 138.092444 128.0
[M+NH4]+ 157.133543 149.8
[M+K]+ 178.062878 131.5
[M+H-H2O]+ 122.096980 123.1
[M+HCOO]- 184.097921 143.7
[M+CH3COO]- 198.113571 171.0
[M+Na-2H]- 160.074386 135.5
[M]+ 139.09917142 121.6
[M]- 139.10026858 121.6
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