CID 131751164

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

Structural Information

Molecular Formula
C15H20O3
SMILES
C/C/1=C/CC2C(CC3(C(O3)CC1)C)OC(=O)C2=C
InChI
InChI=1S/C15H20O3/c1-9-4-6-11-10(2)14(16)17-12(11)8-15(3)13(18-15)7-5-9/h4,11-13H,2,5-8H2,1,3H3/b9-4-
InChIKey
ACDBVOJKXAGTJM-WTKPLQERSA-N
Compound name
(8Z)-3,8-dimethyl-12-methylidene-4,14-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 150.3
[M+Na]+ 271.13047 160.5
[M-H]- 247.13397 155.4
[M+NH4]+ 266.17507 164.1
[M+K]+ 287.10441 160.7
[M+H-H2O]+ 231.13851 149.9
[M+HCOO]- 293.13945 165.3
[M+CH3COO]- 307.15510 194.1
[M+Na-2H]- 269.11592 154.3
[M]+ 248.14070 151.8
[M]- 248.14180 151.8
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

No patent data available for this compound.