CID 3051936

Methacryloyl-n-propyllupinine iodide

Structural Information

Molecular Formula
C17H30NO2
SMILES
CCC[N+]12CCCC[C@@H]1[C@@H](CCC2)COC(=O)C(=C)C
InChI
InChI=1S/C17H30NO2/c1-4-10-18-11-6-5-9-16(18)15(8-7-12-18)13-20-17(19)14(2)3/h15-16H,2,4-13H2,1,3H3/q+1/t15-,16+,18?/m0/s1
InChIKey
BISZYGPJXBRSNR-SWQDIRLTSA-N
Compound name
[(1R,9aR)-5-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.22766 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.234936 170.4
[M+Na]+ 303.216878 172.3
[M-H]- 279.220384 171.4
[M+NH4]+ 298.261483 187.5
[M+K]+ 319.190818 164.0
[M+H-H2O]+ 263.224920 166.1
[M+HCOO]- 325.225861 181.8
[M+CH3COO]- 339.241511 194.3
[M+Na-2H]- 301.202326 172.8
[M]+ 280.22711142 164.2
[M]- 280.22820858 164.2
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

No patent data available for this compound.