CID 13817976

(1(10)e,4beta,5alpha,8beta)-4,5-epoxy-1(10),11(13)-germacradien-12,8-olide

Structural Information

Molecular Formula
C15H20O3
SMILES
C/C/1=C/CCC2(C(O2)CC3C(C1)OC(=O)C3=C)C
InChI
InChI=1S/C15H20O3/c1-9-5-4-6-15(3)13(18-15)8-11-10(2)14(16)17-12(11)7-9/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-
InChIKey
RYQABBMOWVCVPW-UITAMQMPSA-N
Compound name
(8Z)-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 152.5
[M+Na]+ 271.13047 165.0
[M+NH4]+ 266.17507 162.2
[M+K]+ 287.10441 160.7
[M-H]- 247.13397 163.7
[M+Na-2H]- 269.11592 157.7
[M]+ 248.14070 158.5
[M]- 248.14180 158.5
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.