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
2
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]+ 347.14891 176.1
[M+Na]+ 369.13085 185.2
[M-H]- 345.13435 185.1
[M+NH4]+ 364.17545 197.7
[M+K]+ 385.10479 182.9
[M+H-H2O]+ 329.13889 174.8
[M+HCOO]- 391.13983 191.4
[M+CH3COO]- 405.15548 208.9
[M+Na-2H]- 367.11630 175.8
[M]+ 346.14108 179.0
[M]- 346.14218 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.