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

448
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

literature stripe

Patent stripe

patents stripe