CID 31621

D,d-t80-prallethrin

Structural Information

Molecular Formula
C19H24O3
SMILES
CC1=C(C(=O)CC1OC(=O)[C@H]2[C@@H](C2(C)C)C=C(C)C)CC#C
InChI
InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3/t14-,16?,17+/m0/s1
InChIKey
SMKRKQBMYOFFMU-DRXWIORDSA-N
Compound name
(2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-en-1-yl) (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

52
References

21022
Patents

300.17255 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17983 163.0
[M+Na]+ 323.16177 179.3
[M-H]- 299.16527 171.0
[M+NH4]+ 318.20637 178.3
[M+K]+ 339.13571 170.2
[M+H-H2O]+ 283.16981 155.8
[M+HCOO]- 345.17075 179.3
[M+CH3COO]- 359.18640 215.1
[M+Na-2H]- 321.14722 161.6
[M]+ 300.17200 165.6
[M]- 300.17310 165.6
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