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]+ 281.23494 170.4
[M+Na]+ 303.21688 172.3
[M-H]- 279.22038 171.4
[M+NH4]+ 298.26148 187.5
[M+K]+ 319.19082 164.0
[M+H-H2O]+ 263.22492 166.1
[M+HCOO]- 325.22586 181.8
[M+CH3COO]- 339.24151 194.3
[M+Na-2H]- 301.20233 172.8
[M]+ 280.22711 164.2
[M]- 280.22821 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.