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

7358
Patents

286.19327 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.200546 164.6
[M+Na]+ 309.182488 174.1
[M-H]- 285.185994 172.5
[M+NH4]+ 304.227093 178.6
[M+K]+ 325.156428 170.6
[M+H-H2O]+ 269.190530 159.1
[M+HCOO]- 331.191471 184.9
[M+CH3COO]- 345.207121 208.9
[M+Na-2H]- 307.167936 164.6
[M]+ 286.19272142 171.3
[M]- 286.19381858 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

literature stripe

Patent stripe

patents stripe