CID 58306363

3-methyl-3-azabicyclo[3.3.1]nonan-7-onehydrochloride

Structural Information

Molecular Formula
C9H15NO
SMILES
CN1CC2CC(C1)CC(=O)C2
InChI
InChI=1S/C9H15NO/c1-10-5-7-2-8(6-10)4-9(11)3-7/h7-8H,2-6H2,1H3
InChIKey
VFTIVWMIFNJVBI-UHFFFAOYSA-N
Compound name
3-methyl-3-azabicyclo[3.3.1]nonan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

153.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 132.6
[M+Na]+ 176.10459 138.7
[M-H]- 152.10809 133.4
[M+NH4]+ 171.14919 154.1
[M+K]+ 192.07853 136.9
[M+H-H2O]+ 136.11263 126.7
[M+HCOO]- 198.11357 148.6
[M+CH3COO]- 212.12922 177.8
[M+Na-2H]- 174.09004 138.6
[M]+ 153.11482 128.0
[M]- 153.11592 128.0
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