CID 3051934

Methacryloyl-n-ethyllupinine iodide

Structural Information

Molecular Formula
C16H28NO2
SMILES
CC[N+]12CCCC[C@@H]1[C@@H](CCC2)COC(=O)C(=C)C
InChI
InChI=1S/C16H28NO2/c1-4-17-10-6-5-9-15(17)14(8-7-11-17)12-19-16(18)13(2)3/h14-15H,2,4-12H2,1,3H3/q+1/t14-,15+,17?/m0/s1
InChIKey
OFUQLZHDEYHEKO-BTPDTDQASA-N
Compound name
[(1R,9aR)-5-ethyl-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

266.212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.21928 165.8
[M+Na]+ 289.20122 168.2
[M-H]- 265.20472 167.0
[M+NH4]+ 284.24582 183.4
[M+K]+ 305.17516 160.1
[M+H-H2O]+ 249.20926 161.7
[M+HCOO]- 311.21020 177.6
[M+CH3COO]- 325.22585 191.3
[M+Na-2H]- 287.18667 168.7
[M]+ 266.21145 159.2
[M]- 266.21255 159.2
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.