CID 20055167

Bioethanomethrin

Structural Information

Molecular Formula
C24H28O3
SMILES
CC1([C@@H]([C@H]1C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C=C4CCCC4)C
InChI
InChI=1S/C24H28O3/c1-24(2)21(14-18-10-6-7-11-18)22(24)23(25)27-16-19-13-20(26-15-19)12-17-8-4-3-5-9-17/h3-5,8-9,13-15,21-22H,6-7,10-12,16H2,1-2H3/t21-,22+/m1/s1
InChIKey
MGRRXBWTLBJEMS-YADHBBJMSA-N
Compound name
(5-benzylfuran-3-yl)methyl (1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

10000
Patents

364.20386 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.21114 182.3
[M+Na]+ 387.19308 189.4
[M-H]- 363.19658 195.8
[M+NH4]+ 382.23768 194.1
[M+K]+ 403.16702 185.9
[M+H-H2O]+ 347.20112 176.4
[M+HCOO]- 409.20206 202.4
[M+CH3COO]- 423.21771 215.8
[M+Na-2H]- 385.17853 180.2
[M]+ 364.20331 186.5
[M]- 364.20441 186.5
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