CID 11789781

(z,s)-pyrethrolone

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC1=C(C(=O)C[C@@H]1O)C/C=C\C=C

InChI

InChI=1S/C11H14O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h3-5,10,12H,1,6-7H2,2H3/b5-4-/t10-/m0/s1

InChIKey

IVGYSSJKFLEVIX-LWTINBJPSA-N

Compound name

(4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 178.09938 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]+	179.10666	141.1
[M+Na]+	201.08860	151.5
[M+NH4]+	196.13320	148.3
[M+K]+	217.06254	147.0
[M-H]-	177.09210	141.2
[M+Na-2H]-	199.07405	143.9
[M]+	178.09883	142.3
[M]-	178.09993	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe