CID 131752688

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

Structural Information

Molecular Formula
C18H20O5
SMILES
CC1CCCC2=C1C3C(C2)/C(=C/OC4C=C(C(=O)O4)C)/C(=O)O3
InChI
InChI=1S/C18H20O5/c1-9-4-3-5-11-7-12-13(18(20)23-16(12)15(9)11)8-21-14-6-10(2)17(19)22-14/h6,8-9,12,14,16H,3-5,7H2,1-2H3/b13-8-
InChIKey
KHSREFIWULNDAB-JYRVWZFOSA-N
Compound name
(3Z)-8-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,5,6,7,8,8b-hexahydro-3aH-indeno[1,2-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.13107 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 171.0
[M+Na]+ 339.12029 180.0
[M+NH4]+ 334.16489 178.5
[M+K]+ 355.09423 181.0
[M-H]- 315.12379 175.4
[M+Na-2H]- 337.10574 169.8
[M]+ 316.13052 173.2
[M]- 316.13162 173.2
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.