CID 11096

Psi-pelletierine

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
5
Annotation Hits

11
References

471
Patents

153.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 132.6
[M+Na]+ 176.104588 138.7
[M-H]- 152.108094 133.4
[M+NH4]+ 171.149193 154.1
[M+K]+ 192.078528 136.9
[M+H-H2O]+ 136.112630 126.7
[M+HCOO]- 198.113571 148.6
[M+CH3COO]- 212.129221 177.8
[M+Na-2H]- 174.090036 138.6
[M]+ 153.11482142 128.0
[M]- 153.11591858 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