CID 36625

(-)-trans-resmethrin

Structural Information

Molecular Formula
C22H26O3
SMILES
CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC=C(O2)CC3=CC=CC=C3)C
InChI
InChI=1S/C22H26O3/c1-15(2)12-19-20(22(19,3)4)21(23)24-14-18-11-10-17(25-18)13-16-8-6-5-7-9-16/h5-12,19-20H,13-14H2,1-4H3/t19-,20+/m1/s1
InChIKey
SSUJIHXQXFBEJN-UXHICEINSA-N
Compound name
(5-benzylfuran-2-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1882 Da
Monoisotopic Mass

6.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.