PubChemLite - Allethrin (C19H26O3)

Structural Information

Molecular Formula

C₁₉H₂₆O₃

SMILES

CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C

InChI

InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3

InChIKey

ZCVAOQKBXKSDMS-UHFFFAOYSA-N

Compound name

(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

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]+	303.19548	172.0
[M+Na]+	325.17742	183.0
[M+NH4]+	320.22202	179.8
[M+K]+	341.15136	178.9
[M-H]-	301.18092	179.8
[M+Na-2H]-	323.16287	177.6
[M]+	302.18765	176.8
[M]-	302.18875	176.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

303.19548

172.0

[M+Na]+

325.17742

183.0

[M+NH4]+

320.22202

179.8

[M+K]+

341.15136

178.9

[M-H]-

301.18092

179.8

[M+Na-2H]-

323.16287

177.6

[M]+

302.18765

176.8

[M]-

302.18875

176.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Allethrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe