CID 10427734

Allethrin ii

Structural Information

Molecular Formula
C20H26O5
SMILES
CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)/C=C(\C)/C(=O)OC)CC=C
InChI
InChI=1S/C20H26O5/c1-7-8-13-12(3)16(10-15(13)21)25-19(23)17-14(20(17,4)5)9-11(2)18(22)24-6/h7,9,14,16-17H,1,8,10H2,2-6H3/b11-9+
InChIKey
WZRUHNUBXOTVHG-PKNBQFBNSA-N
Compound name
(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

346.178 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18528 175.6
[M+Na]+ 369.16722 184.7
[M-H]- 345.17072 183.2
[M+NH4]+ 364.21182 188.6
[M+K]+ 385.14116 180.6
[M+H-H2O]+ 329.17526 171.8
[M+HCOO]- 391.17620 194.3
[M+CH3COO]- 405.19185 217.2
[M+Na-2H]- 367.15267 171.3
[M]+ 346.17745 184.1
[M]- 346.17855 184.1
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