CID 14138125

Cichoriolide a

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1=C2C3C(CCC2(CCC1O)C)C(=C)C(=O)O3
InChI
InChI=1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h10-11,13,16H,1,4-7H2,2-3H3
InChIKey
WLJQSNNKIQSGBT-UHFFFAOYSA-N
Compound name
8-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

248.14125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 156.5
[M+Na]+ 271.13047 167.0
[M+NH4]+ 266.17507 166.6
[M+K]+ 287.10441 161.1
[M-H]- 247.13397 159.3
[M+Na-2H]- 269.11592 158.1
[M]+ 248.14070 158.8
[M]- 248.14180 158.8
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

patents stripe