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 170.0
[M+Na]+ 303.21688 180.6
[M+NH4]+ 298.26148 180.0
[M+K]+ 319.19082 172.6
[M-H]- 279.22038 172.5
[M+Na-2H]- 301.20233 173.8
[M]+ 280.22711 172.4
[M]- 280.22821 172.4
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.