CID 6265

Dimethrin

Structural Information

Molecular Formula
C19H26O2
SMILES
CC1=CC(=C(C=C1)COC(=O)C2C(C2(C)C)C=C(C)C)C
InChI
InChI=1S/C19H26O2/c1-12(2)9-16-17(19(16,5)6)18(20)21-11-15-8-7-13(3)10-14(15)4/h7-10,16-17H,11H2,1-6H3
InChIKey
FHNKBSDJERHDHZ-UHFFFAOYSA-N
Compound name
(2,4-dimethylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

7287
Patents

286.19327 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20055 164.6
[M+Na]+ 309.18249 174.1
[M-H]- 285.18599 172.5
[M+NH4]+ 304.22709 178.6
[M+K]+ 325.15643 170.6
[M+H-H2O]+ 269.19053 159.1
[M+HCOO]- 331.19147 184.9
[M+CH3COO]- 345.20712 208.9
[M+Na-2H]- 307.16794 164.6
[M]+ 286.19272 171.3
[M]- 286.19382 171.3
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.