CID 155509

Lupinine, acrylate (ester)

Structural Information

Molecular Formula
C13H21NO2
SMILES
C=CC(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2
InChI
InChI=1S/C13H21NO2/c1-2-13(15)16-10-11-6-5-9-14-8-4-3-7-12(11)14/h2,11-12H,1,3-10H2/t11-,12+/m0/s1
InChIKey
AFHWXJWAWBDGFQ-NWDGAFQWSA-N
Compound name
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 153.2
[M+Na]+ 246.146448 156.3
[M-H]- 222.149954 154.3
[M+NH4]+ 241.191053 170.6
[M+K]+ 262.120388 153.9
[M+H-H2O]+ 206.154490 145.9
[M+HCOO]- 268.155431 167.5
[M+CH3COO]- 282.171081 189.0
[M+Na-2H]- 244.131896 155.5
[M]+ 223.15668142 147.7
[M]- 223.15777858 147.7
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.