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 149.7
[M+Na]+ 271.13047 158.6
[M-H]- 247.13397 159.1
[M+NH4]+ 266.17507 168.2
[M+K]+ 287.10441 157.7
[M+H-H2O]+ 231.13851 147.3
[M+HCOO]- 293.13945 162.8
[M+CH3COO]- 307.15510 161.9
[M+Na-2H]- 269.11592 153.2
[M]+ 248.14070 150.4
[M]- 248.14180 150.4
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.