CID 28248

Furethrin

Structural Information

Molecular Formula
C21H26O4
SMILES
CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC3=CC=CO3
InChI
InChI=1S/C21H26O4/c1-12(2)9-16-19(21(16,4)5)20(23)25-18-11-17(22)15(13(18)3)10-14-7-6-8-24-14/h6-9,16,18-19H,10-11H2,1-5H3
InChIKey
BEYOLLQLGMGJDC-UHFFFAOYSA-N
Compound name
[3-(furan-2-ylmethyl)-2-methyl-4-oxocyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4116
Patents

342.1831 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19038 174.6
[M+Na]+ 365.17232 184.2
[M-H]- 341.17582 186.3
[M+NH4]+ 360.21692 188.2
[M+K]+ 381.14626 181.1
[M+H-H2O]+ 325.18036 170.8
[M+HCOO]- 387.18130 194.7
[M+CH3COO]- 401.19695 215.4
[M+Na-2H]- 363.15777 171.5
[M]+ 342.18255 182.9
[M]- 342.18365 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.