CID 98331

Cordilin

Structural Information

Molecular Formula
C15H20O5
SMILES
CC1CCC2C(C(C13CCC(=O)O3)(C)O)OC(=O)C2=C
InChI
InChI=1S/C15H20O5/c1-8-4-5-10-9(2)13(17)19-12(10)14(3,18)15(8)7-6-11(16)20-15/h8,10,12,18H,2,4-7H2,1,3H3
InChIKey
IRPFOXRBPHCCTG-UHFFFAOYSA-N
Compound name
8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

280.13107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 161.9
[M+Na]+ 303.12029 167.9
[M+NH4]+ 298.16489 170.2
[M+K]+ 319.09423 166.0
[M-H]- 279.12379 163.9
[M+Na-2H]- 301.10574 162.9
[M]+ 280.13052 163.3
[M]- 280.13162 163.3
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

patents stripe