CID 9907412

Spiromesifen

Structural Information

Molecular Formula
C23H30O4
SMILES
CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C
InChI
InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3
InChIKey
GOLXNESZZPUPJE-UHFFFAOYSA-N
Compound name
[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

67
References

102408
Patents

370.21442 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.22170 189.0
[M+Na]+ 393.20364 196.5
[M-H]- 369.20714 199.1
[M+NH4]+ 388.24824 206.7
[M+K]+ 409.17758 194.2
[M+H-H2O]+ 353.21168 184.6
[M+HCOO]- 415.21262 206.7
[M+CH3COO]- 429.22827 218.2
[M+Na-2H]- 391.18909 186.8
[M]+ 370.21387 192.9
[M]- 370.21497 192.9
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