CID 31622

Furamethrin

Structural Information

Molecular Formula

C₁₈H₂₂O₃

SMILES

CC(=CC1C(C1(C)C)C(=O)OCC2=CC=C(O2)CC#C)C

InChI

InChI=1S/C18H22O3/c1-6-7-13-8-9-14(21-13)11-20-17(19)16-15(10-12(2)3)18(16,4)5/h1,8-10,15-16H,7,11H2,2-5H3

InChIKey

FSYXMFXBRJFYBS-UHFFFAOYSA-N

Compound name

(5-prop-2-ynylfuran-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2387
Patents: 286.1569 Da
Monoisotopic Mass: 4.0
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]+	287.164176	160.1
[M+Na]+	309.146118	176.1
[M-H]-	285.149624	168.3
[M+NH4]+	304.190723	174.3
[M+K]+	325.120058	168.7
[M+H-H2O]+	269.154160	151.8
[M+HCOO]-	331.155101	176.9
[M+CH3COO]-	345.170751	210.8
[M+Na-2H]-	307.131566	161.7
[M]+	286.15635142	164.0
[M]-	286.15744858	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe