CID 25421

5-allylfurfuryl chrysanthemate

Structural Information

Molecular Formula
C18H24O3
SMILES
CC(=CC1C(C1(C)C)C(=O)OCC2=CC=C(O2)CC=C)C
InChI
InChI=1S/C18H24O3/c1-6-7-13-8-9-14(21-13)11-20-17(19)16-15(10-12(2)3)18(16,4)5/h6,8-10,15-16H,1,7,11H2,2-5H3
InChIKey
QVDCSEPAJNGCBF-UHFFFAOYSA-N
Compound name
(5-prop-2-enylfuran-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

581
Patents

288.17255 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17983 165.3
[M+Na]+ 311.16177 174.6
[M-H]- 287.16527 173.7
[M+NH4]+ 306.20637 179.3
[M+K]+ 327.13571 171.8
[M+H-H2O]+ 271.16981 160.5
[M+HCOO]- 333.17075 185.7
[M+CH3COO]- 347.18640 206.1
[M+Na-2H]- 309.14722 165.5
[M]+ 288.17200 173.4
[M]- 288.17310 173.4
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

patents stripe