CID 73814575

Annuolide c

Structural Information

Molecular Formula
C15H18O3
SMILES
C=C1CCC2C1C3C(CC(C2=C)O)C(=C)C(=O)O3
InChI
InChI=1S/C15H18O3/c1-7-4-5-10-8(2)12(16)6-11-9(3)15(17)18-14(11)13(7)10/h10-14,16H,1-6H2
InChIKey
XYWIETPXXWYOFO-UHFFFAOYSA-N
Compound name
5-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 155.2
[M+Na]+ 269.11482 161.9
[M-H]- 245.11832 161.1
[M+NH4]+ 264.15942 175.4
[M+K]+ 285.08876 160.0
[M+H-H2O]+ 229.12286 153.0
[M+HCOO]- 291.12380 169.9
[M+CH3COO]- 305.13945 195.4
[M+Na-2H]- 267.10027 153.1
[M]+ 246.12505 148.7
[M]- 246.12615 148.7
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.