CID 5053

Resmethrin

Structural Information

Molecular Formula
C22H26O3
SMILES
CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C
InChI
InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3
InChIKey
VEMKTZHHVJILDY-UHFFFAOYSA-N
Compound name
(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

195
References

61953
Patents

338.1882 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19548 177.4
[M+Na]+ 361.17742 185.9
[M-H]- 337.18092 188.5
[M+NH4]+ 356.22202 189.0
[M+K]+ 377.15136 183.0
[M+H-H2O]+ 321.18546 171.1
[M+HCOO]- 383.18640 198.0
[M+CH3COO]- 397.20205 214.1
[M+Na-2H]- 359.16287 177.3
[M]+ 338.18765 184.9
[M]- 338.18875 184.9
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