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]+ 315.159076 172.9
[M+Na]+ 337.141018 179.7
[M-H]- 313.144524 183.5
[M+NH4]+ 332.185623 191.6
[M+K]+ 353.114958 177.5
[M+H-H2O]+ 297.149060 167.7
[M+HCOO]- 359.150001 188.8
[M+CH3COO]- 373.165651 184.5
[M+Na-2H]- 335.126466 172.8
[M]+ 314.15125142 171.2
[M]- 314.15234858 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.