CID 3051930

Methacryloyl-n-methyllupinine iodide

Structural Information

Molecular Formula
C15H26NO2
SMILES
CC(=C)C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C
InChI
InChI=1S/C15H26NO2/c1-12(2)15(17)18-11-13-7-6-10-16(3)9-5-4-8-14(13)16/h13-14H,1,4-11H2,2-3H3/q+1/t13-,14+,16?/m0/s1
InChIKey
NCRJWESTCYMYTR-NNKZFNQJSA-N
Compound name
[(1R,9aR)-5-methyl-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

252.19635 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.20363 161.2
[M+Na]+ 275.18557 164.0
[M-H]- 251.18907 162.6
[M+NH4]+ 270.23017 179.4
[M+K]+ 291.15951 156.2
[M+H-H2O]+ 235.19361 157.3
[M+HCOO]- 297.19455 173.3
[M+CH3COO]- 311.21020 188.3
[M+Na-2H]- 273.17102 164.6
[M]+ 252.19580 154.3
[M]- 252.19690 154.3
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.