CID 3756497

4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3ah-azuleno[4,5-b]furan-2,7-dione

Structural Information

Molecular Formula
C15H16O5
SMILES
CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO
InChI
InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3
InChIKey
VJQAFLAZRVKAKM-UHFFFAOYSA-N
Compound name
4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

652
Patents

276.09976 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 161.0
[M+Na]+ 299.08898 168.4
[M+NH4]+ 294.13358 166.7
[M+K]+ 315.06292 169.4
[M-H]- 275.09248 161.2
[M+Na-2H]- 297.07443 159.2
[M]+ 276.09921 161.8
[M]- 276.10031 161.8
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