CID 131752335

Annuolide e

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1C2CC(C(=C)C3CCC(=C)C3C2OC1=O)O
InChI
InChI=1S/C15H20O3/c1-7-4-5-10-8(2)12(16)6-11-9(3)15(17)18-14(11)13(7)10/h9-14,16H,1-2,4-6H2,3H3
InChIKey
NMUKFBVCUMTQOB-UHFFFAOYSA-N
Compound name
5-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 157.7
[M+Na]+ 271.13047 164.5
[M+NH4]+ 266.17507 164.7
[M+K]+ 287.10441 164.3
[M-H]- 247.13397 158.9
[M+Na-2H]- 269.11592 155.8
[M]+ 248.14070 158.7
[M]- 248.14180 158.7
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.