CID 11096

9-methyl-9-azabicyclo[3.3.1]nonan-3-one

Structural Information

Molecular Formula
C9H15NO
SMILES
CN1C2CCCC1CC(=O)C2
InChI
InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
InChIKey
RHWSKVCZXBAWLZ-UHFFFAOYSA-N
Compound name
9-methyl-9-azabicyclo[3.3.1]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

421
Patents

153.11537 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe