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 158.4
[M+Na]+ 303.12029 165.3
[M-H]- 279.12379 166.1
[M+NH4]+ 298.16489 178.7
[M+K]+ 319.09423 165.2
[M+H-H2O]+ 263.12833 156.1
[M+HCOO]- 325.12927 172.3
[M+CH3COO]- 339.14492 197.6
[M+Na-2H]- 301.10574 159.6
[M]+ 280.13052 154.3
[M]- 280.13162 154.3
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