CID 33747

Proparthrin

Structural Information

Molecular Formula
C19H24O3
SMILES
CC1=C(C=C(O1)CC#C)COC(=O)C2C(C2(C)C)C=C(C)C
InChI
InChI=1S/C19H24O3/c1-7-8-15-10-14(13(4)22-15)11-21-18(20)17-16(9-12(2)3)19(17,5)6/h1,9-10,16-17H,8,11H2,2-6H3
InChIKey
WXBHKHTWAPLUSQ-UHFFFAOYSA-N
Compound name
(2-methyl-5-prop-2-ynylfuran-3-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

757
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 162.3
[M+Na]+ 323.16177 178.7
[M-H]- 299.16527 170.7
[M+NH4]+ 318.20637 176.3
[M+K]+ 339.13571 171.1
[M+H-H2O]+ 283.16981 154.3
[M+HCOO]- 345.17075 178.9
[M+CH3COO]- 359.18640 214.4
[M+Na-2H]- 321.14722 163.1
[M]+ 300.17200 167.0
[M]- 300.17310 167.0
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.