CID 131753126

(3z)-8a-hydroxy-8,8-dimethyl-3-[(4-methyl-5-oxo-2h-furan-2-yl)oxymethylidene]-5,6,7,8b-tetrahydro-3ah-indeno[1,2-b]furan-2-one

Structural Information

Molecular Formula
C19H22O6
SMILES
CC1=CC(OC1=O)O/C=C\2/C3C=C4CCCC(C4(C3OC2=O)O)(C)C
InChI
InChI=1S/C19H22O6/c1-10-7-14(24-16(10)20)23-9-13-12-8-11-5-4-6-18(2,3)19(11,22)15(12)25-17(13)21/h7-9,12,14-15,22H,4-6H2,1-3H3/b13-9-
InChIKey
FIKOOQXJBAJJSE-LCYFTJDESA-N
Compound name
(3Z)-8a-hydroxy-8,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-5,6,7,8b-tetrahydro-3aH-indeno[1,2-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14163 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.148906 176.1
[M+Na]+ 369.130848 185.2
[M-H]- 345.134354 185.1
[M+NH4]+ 364.175453 197.7
[M+K]+ 385.104788 182.9
[M+H-H2O]+ 329.138890 174.8
[M+HCOO]- 391.139831 191.4
[M+CH3COO]- 405.155481 208.9
[M+Na-2H]- 367.116296 175.8
[M]+ 346.14108142 179.0
[M]- 346.14217858 179.0
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.