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

9
Patents

139.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 129.5
[M+Na]+ 162.08894 140.1
[M+NH4]+ 157.13354 139.0
[M+K]+ 178.06288 133.7
[M-H]- 138.09244 130.2
[M+Na-2H]- 160.07439 132.6
[M]+ 139.09917 130.9
[M]- 139.10027 130.9
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