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]+ 224.16451 153.2
[M+Na]+ 246.14645 156.3
[M-H]- 222.14995 154.3
[M+NH4]+ 241.19105 170.6
[M+K]+ 262.12039 153.9
[M+H-H2O]+ 206.15449 145.9
[M+HCOO]- 268.15543 167.5
[M+CH3COO]- 282.17108 189.0
[M+Na-2H]- 244.13190 155.5
[M]+ 223.15668 147.7
[M]- 223.15778 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.