CID 131751397

8,12-epoxy-4(15),7,11-eudesmatrien-1-one

Structural Information

Molecular Formula

C₁₅H₁₈O₂

SMILES

CC1=COC2=C1CC3C(=C)CCC(=O)C3(C2)C

InChI

InChI=1S/C15H18O2/c1-9-4-5-14(16)15(3)7-13-11(6-12(9)15)10(2)8-17-13/h8,12H,1,4-7H2,2-3H3

InChIKey

AKNPMCISDQNRFC-UHFFFAOYSA-N

Compound name

3,8a-dimethyl-5-methylidene-4a,6,7,9-tetrahydro-4H-benzo[f][1]benzofuran-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.13068 Da
Monoisotopic Mass: 2.3
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]+	231.137956	150.6
[M+Na]+	253.119898	159.5
[M-H]-	229.123404	156.6
[M+NH4]+	248.164503	173.8
[M+K]+	269.093838	156.2
[M+H-H2O]+	213.127940	145.9
[M+HCOO]-	275.128881	167.6
[M+CH3COO]-	289.144531	163.7
[M+Na-2H]-	251.105346	154.5
[M]+	230.13013142	149.0
[M]-	230.13122858	149.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.