CID 21585547

(4as,5r,5's,6r)-5'-(3-furyl)-6-methyl-2'-oxo-spiro[3,4,4a,6,7,8-hexahydro-2h-naphthalene-5,3'-tetrahydrofuran]-1-carbaldehyde

Structural Information

Molecular Formula
C19H22O4
SMILES
C[C@@H]1CCC2=C(CCC[C@@H]2[C@@]13C[C@H](OC3=O)C4=COC=C4)C=O
InChI
InChI=1S/C19H22O4/c1-12-5-6-15-13(10-20)3-2-4-16(15)19(12)9-17(23-18(19)21)14-7-8-22-11-14/h7-8,10-12,16-17H,2-6,9H2,1H3/t12-,16+,17+,19-/m1/s1
InChIKey
OYTRHPZADGNDKT-VIXHLQAQSA-N
Compound name
(4aS,5R,5'S,6R)-5'-(furan-3-yl)-6-methyl-2'-oxospiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-5,3'-oxolane]-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.1518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15908 172.9
[M+Na]+ 337.14102 179.7
[M-H]- 313.14452 183.5
[M+NH4]+ 332.18562 191.6
[M+K]+ 353.11496 177.5
[M+H-H2O]+ 297.14906 167.7
[M+HCOO]- 359.15000 188.8
[M+CH3COO]- 373.16565 184.5
[M+Na-2H]- 335.12647 172.8
[M]+ 314.15125 171.2
[M]- 314.15235 171.2
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.