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

3763
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

literature stripe

Patent stripe

patents stripe