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

10
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 128.7
[M+Na]+ 162.08894 134.0
[M-H]- 138.09244 128.0
[M+NH4]+ 157.13354 149.8
[M+K]+ 178.06288 131.5
[M+H-H2O]+ 122.09698 123.1
[M+HCOO]- 184.09792 143.7
[M+CH3COO]- 198.11357 171.0
[M+Na-2H]- 160.07439 135.5
[M]+ 139.09917 121.6
[M]- 139.10027 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