CID 168266073

(2s,9s)-annullatin d

Structural Information

Molecular Formula
C17H22O4
SMILES
CCCC[C@H]1C2=C(C3=C(C[C@H](O3)C(C)(C)O)C=C2)C(=O)O1
InChI
InChI=1S/C17H22O4/c1-4-5-6-12-11-8-7-10-9-13(17(2,3)19)21-15(10)14(11)16(18)20-12/h7-8,12-13,19H,4-6,9H2,1-3H3/t12-,13-/m0/s1
InChIKey
PVNMYTXDEUELFI-STQMWFEESA-N
Compound name
(2S,6S)-6-butyl-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1518 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15908 165.6
[M+Na]+ 313.14102 175.5
[M+NH4]+ 308.18562 173.1
[M+K]+ 329.11496 174.8
[M-H]- 289.14452 168.4
[M+Na-2H]- 311.12647 165.4
[M]+ 290.15125 167.7
[M]- 290.15235 167.7
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.