CID 161131

Euphococcinine

Structural Information

Molecular Formula
C9H15NO
SMILES
C[C@@]12CCC[C@@H](N1)CC(=O)C2
InChI
InChI=1S/C9H15NO/c1-9-4-2-3-7(10-9)5-8(11)6-9/h7,10H,2-6H2,1H3/t7-,9+/m1/s1
InChIKey
BWXDELRNNYLLKB-APPZFPTMSA-N
Compound name
(1S,5R)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

153.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 134.0
[M+Na]+ 176.104588 139.9
[M-H]- 152.108094 133.5
[M+NH4]+ 171.149193 156.6
[M+K]+ 192.078528 137.3
[M+H-H2O]+ 136.112630 128.7
[M+HCOO]- 198.113571 148.6
[M+CH3COO]- 212.129221 173.6
[M+Na-2H]- 174.090036 141.2
[M]+ 153.11482142 127.5
[M]- 153.11591858 127.5
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

No patent data available for this compound.