CID 5742898

Potamogetonin

Structural Information

Molecular Formula
C20H26O3
SMILES
C[C@@]12CCC[C@@]3([C@@H]1CCC(=C)[C@H]3CCC4=COC=C4)C(=O)OC2
InChI
InChI=1S/C20H26O3/c1-14-4-7-17-19(2)9-3-10-20(17,18(21)23-13-19)16(14)6-5-15-8-11-22-12-15/h8,11-12,16-17H,1,3-7,9-10,13H2,2H3/t16-,17-,19+,20-/m1/s1
InChIKey
GWSYJSBQYQWLDU-IZBJGVDFSA-N
Compound name
(1R,2R,6R,7R)-2-[2-(furan-3-yl)ethyl]-7-methyl-3-methylidene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

314.1882 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 174.5
[M+Na]+ 337.17742 179.5
[M-H]- 313.18092 182.9
[M+NH4]+ 332.22202 193.3
[M+K]+ 353.15136 176.9
[M+H-H2O]+ 297.18546 167.3
[M+HCOO]- 359.18640 186.6
[M+CH3COO]- 373.20205 184.6
[M+Na-2H]- 335.16287 176.6
[M]+ 314.18765 170.8
[M]- 314.18875 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.