CID 131751288

1b-furanoeudesm-4(15)-en-1-ol acetate

Structural Information

Molecular Formula

C₁₇H₂₂O₃

SMILES

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

InChI

InChI=1S/C17H22O3/c1-10-5-6-16(20-12(3)18)17(4)8-15-13(7-14(10)17)11(2)9-19-15/h9,14,16H,1,5-8H2,2-4H3

InChIKey

RVODLNSWAHTRAO-UHFFFAOYSA-N

Compound name

(3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.1569 Da
Monoisotopic Mass: 3.2
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]+	275.164176	163.5
[M+Na]+	297.146118	171.1
[M-H]-	273.149624	169.1
[M+NH4]+	292.190723	184.7
[M+K]+	313.120058	168.4
[M+H-H2O]+	257.154160	158.5
[M+HCOO]-	319.155101	178.9
[M+CH3COO]-	333.170751	200.9
[M+Na-2H]-	295.131566	165.2
[M]+	274.15635142	163.3
[M]-	274.15744858	163.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.