CID 11300974

188062-51-3

Structural Information

Molecular Formula
C17H14O5
SMILES
CC1=C[C@@H](OC1=O)O/C=C/2\[C@@H]3CC4=CC=CC=C4[C@@H]3OC2=O
InChI
InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14+,15-/m0/s1
InChIKey
XHSDUVBUZOUAOQ-VEEPAONSSA-N
Compound name
(3E,3aS,8bR)-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

298.08414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 164.3
[M+Na]+ 321.07336 175.1
[M+NH4]+ 316.11796 172.1
[M+K]+ 337.04730 175.7
[M-H]- 297.07686 169.1
[M+Na-2H]- 319.05881 165.3
[M]+ 298.08359 167.0
[M]- 298.08469 167.0
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

patents stripe