CID 157009763

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

Structural Information

Molecular Formula
C15H16O4
SMILES
CC1=C2[C@@H]([C@@H]3C(CC1)C(=C)C(=O)O3)C(=CC2=O)CO
InChI
InChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10?,13-,14-/m0/s1
InChIKey
NIYXMGSLECQTQT-RYQGGHCKSA-N
Compound name
(9aS,9bS)-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
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 156.3
[M+Na]+ 283.09408 164.5
[M-H]- 259.09758 163.0
[M+NH4]+ 278.13868 176.2
[M+K]+ 299.06802 163.9
[M+H-H2O]+ 243.10212 154.0
[M+HCOO]- 305.10306 173.8
[M+CH3COO]- 319.11871 197.3
[M+Na-2H]- 281.07953 156.1
[M]+ 260.10431 154.6
[M]- 260.10541 154.6
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

No patent data available for this compound.