CID 21578749

Enokipodin a

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1=CC2=C(C=C1O)C3(CCC(C3(C)C)(O2)O)C
InChI
InChI=1S/C15H20O3/c1-9-7-12-10(8-11(9)16)14(4)5-6-15(17,18-12)13(14,2)3/h7-8,16-17H,5-6H2,1-4H3
InChIKey
KANVQRLDTGOSBL-UHFFFAOYSA-N
Compound name
1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

248.14125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 154.0
[M+Na]+ 271.13047 165.0
[M-H]- 247.13397 157.0
[M+NH4]+ 266.17507 180.0
[M+K]+ 287.10441 161.7
[M+H-H2O]+ 231.13851 150.8
[M+HCOO]- 293.13945 168.9
[M+CH3COO]- 307.15510 167.0
[M+Na-2H]- 269.11592 161.7
[M]+ 248.14070 156.2
[M]- 248.14180 156.2
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.