CID 131751161

(1(10)e,4e,6a,9b)-9-(2-methylbutanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide

Structural Information

Molecular Formula
C20H28O4
SMILES
CCC(C)C(=O)OC\1CC2C(/C=C(/CC/C=C1\C)\C)OC(=O)C2=C
InChI
InChI=1S/C20H28O4/c1-6-13(3)19(21)23-17-11-16-15(5)20(22)24-18(16)10-12(2)8-7-9-14(17)4/h9-10,13,16-18H,5-8,11H2,1-4H3/b12-10+,14-9+
InChIKey
HNBSPEQFYAYDLE-LSBMZBKTSA-N
Compound name
[(6E,10E)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 178.3
[M+Na]+ 355.18798 187.4
[M+NH4]+ 350.23258 183.4
[M+K]+ 371.16192 184.2
[M-H]- 331.19148 179.8
[M+Na-2H]- 353.17343 178.2
[M]+ 332.19821 179.5
[M]- 332.19931 179.5
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.