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
1
Annotation Hits

2
References

7198
Patents

276.17255 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 164.6
[M+Na]+ 299.16177 176.5
[M+NH4]+ 294.20637 174.6
[M+K]+ 315.13571 170.6
[M-H]- 275.16527 173.1
[M+Na-2H]- 297.14722 172.7
[M]+ 276.17200 170.1
[M]- 276.17310 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe