CID 131751394

Absindiol

Structural Information

Molecular Formula

C₁₅H₂₂O₄

SMILES

CC1CC(C2C(C(=O)OC2C3C1CC(C3=C)O)C)O

InChI

InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h6,8-14,16-17H,2,4-5H2,1,3H3

InChIKey

IBIJTDJAWRYXRF-UHFFFAOYSA-N

Compound name

4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.1518 Da
Monoisotopic Mass: 1.1
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]+	267.159076	160.3
[M+Na]+	289.141018	166.6
[M-H]-	265.144524	165.2
[M+NH4]+	284.185623	179.4
[M+K]+	305.114958	166.0
[M+H-H2O]+	249.149060	158.3
[M+HCOO]-	311.150001	173.3
[M+CH3COO]-	325.165651	197.9
[M+Na-2H]-	287.126466	157.4
[M]+	266.15125142	155.2
[M]-	266.15234858	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.