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]+ 322.201276 182.9
[M+Na]+ 344.183218 186.3
[M-H]- 320.186724 184.8
[M+NH4]+ 339.227823 200.2
[M+K]+ 360.157158 184.2
[M+H-H2O]+ 304.191260 177.1
[M+HCOO]- 366.192201 197.6
[M+CH3COO]- 380.207851 207.6
[M+Na-2H]- 342.168666 175.9
[M]+ 321.19345142 183.3
[M]- 321.19454858 183.3
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.