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

7783
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 157.8
[M+Na]+ 299.16177 168.9
[M-H]- 275.16527 166.2
[M+NH4]+ 294.20637 175.8
[M+K]+ 315.13571 165.8
[M+H-H2O]+ 259.16981 155.2
[M+HCOO]- 321.17075 178.4
[M+CH3COO]- 335.18640 205.4
[M+Na-2H]- 297.14722 158.2
[M]+ 276.17200 165.5
[M]- 276.17310 165.5
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