CID 78385431

9-acetoxyfukinanolide

Structural Information

Molecular Formula
C17H24O4
SMILES
CC1CCCC2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C
InChI
InChI=1S/C17H24O4/c1-10-6-5-7-13-14(21-12(3)18)17(9-16(10,13)4)11(2)8-20-15(17)19/h10,13-14H,2,5-9H2,1,3-4H3
InChIKey
ZZZDGYZKGIPSPD-UHFFFAOYSA-N
Compound name
(3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

292.16745 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 168.7
[M+Na]+ 315.15667 176.1
[M+NH4]+ 310.20127 178.7
[M+K]+ 331.13061 171.5
[M-H]- 291.16017 170.6
[M+Na-2H]- 313.14212 170.6
[M]+ 292.16690 170.2
[M]- 292.16800 170.2
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.