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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.132876	155.2
[M+Na]+	269.114818	161.9
[M-H]-	245.118324	161.1
[M+NH4]+	264.159423	175.4
[M+K]+	285.088758	160.0
[M+H-H2O]+	229.122860	153.0
[M+HCOO]-	291.123801	169.9
[M+CH3COO]-	305.139451	195.4
[M+Na-2H]-	267.100266	153.1
[M]+	246.12505142	148.7
[M]-	246.12614858	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.