CID 27409

Terallethrin

Structural Information

Molecular Formula

C₁₇H₂₄O₃

SMILES

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

InChI

InChI=1S/C17H24O3/c1-7-8-11-10(2)13(9-12(11)18)20-15(19)14-16(3,4)17(14,5)6/h7,13-14H,1,8-9H2,2-6H3

InChIKey

MIZYPRIEDMSCAC-UHFFFAOYSA-N

Compound name

(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 8505
Patents: 276.17255 Da
Monoisotopic Mass: 4.2
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]+	277.179826	157.8
[M+Na]+	299.161768	168.9
[M-H]-	275.165274	166.2
[M+NH4]+	294.206373	175.8
[M+K]+	315.135708	165.8
[M+H-H2O]+	259.169810	155.2
[M+HCOO]-	321.170751	178.4
[M+CH3COO]-	335.186401	205.4
[M+Na-2H]-	297.147216	158.2
[M]+	276.17200142	165.5
[M]-	276.17309858	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe