CID 14104516

10582-53-3

Structural Information

Molecular Formula
C18H24O3
SMILES
CC(=O)CCC1=C2CC[C@]3([C@H]([C@@H]2CCC1=O)CCC3=O)C
InChI
InChI=1S/C18H24O3/c1-11(19)3-4-14-12-9-10-18(2)15(6-8-17(18)21)13(12)5-7-16(14)20/h13,15H,3-10H2,1-2H3/t13-,15+,18+/m1/s1
InChIKey
ZBPXAZAHJQARGF-XUWXXGDYSA-N
Compound name
(3aS,9aS,9bS)-3a-methyl-6-(3-oxobutyl)-1,2,4,5,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

288.17255 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17983 169.6
[M+Na]+ 311.16177 178.9
[M+NH4]+ 306.20637 179.2
[M+K]+ 327.13571 172.2
[M-H]- 287.16527 170.8
[M+Na-2H]- 309.14722 171.2
[M]+ 288.17200 171.1
[M]- 288.17310 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe