CID 14313753

4,5-epoxy-11(13)-guaien-12,8-olide

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1CC2C(CC34C1CCC3(O4)C)C(=C)C(=O)O2
InChI
InChI=1S/C15H20O3/c1-8-6-12-10(9(2)13(16)17-12)7-15-11(8)4-5-14(15,3)18-15/h8,10-12H,2,4-7H2,1,3H3
InChIKey
AIHKZOVNPAYCEL-UHFFFAOYSA-N
Compound name
9,13-dimethyl-4-methylidene-6,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 154.8
[M+Na]+ 271.13047 164.1
[M+NH4]+ 266.17507 165.9
[M+K]+ 287.10441 161.6
[M-H]- 247.13397 164.8
[M+Na-2H]- 269.11592 159.1
[M]+ 248.14070 160.3
[M]- 248.14180 160.3
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.