CID 38350

Platynecine-7,9-senecioate

Structural Information

Molecular Formula
C18H27NO4
SMILES
CC(=CC(=O)OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C)C
InChI
InChI=1S/C18H27NO4/c1-12(2)9-16(20)22-11-14-5-7-19-8-6-15(18(14)19)23-17(21)10-13(3)4/h9-10,14-15,18H,5-8,11H2,1-4H3/t14-,15-,18-/m1/s1
InChIKey
CUJDQFVONFREPO-IIDMSEBBSA-N
Compound name
[(1S,7R,8R)-7-(3-methylbut-2-enoyloxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.194 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20128 180.0
[M+Na]+ 344.18322 184.5
[M+NH4]+ 339.22782 184.4
[M+K]+ 360.15716 184.8
[M-H]- 320.18672 177.1
[M+Na-2H]- 342.16867 177.0
[M]+ 321.19345 179.0
[M]- 321.19455 179.0
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.