CID 135499147

Cycloxydim

Structural Information

Molecular Formula
C17H27NO3S
SMILES
CCCC(=NOCC)C1=C(CC(CC1=O)C2CCCSC2)O
InChI
InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3
InChIKey
GGWHBJGBERXSLL-UHFFFAOYSA-N
Compound name
2-(N-ethoxy-C-propylcarbonimidoyl)-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

23142
Patents

325.17117 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17845 177.0
[M+Na]+ 348.16039 185.1
[M+NH4]+ 343.20499 184.2
[M+K]+ 364.13433 177.1
[M-H]- 324.16389 180.2
[M+Na-2H]- 346.14584 180.2
[M]+ 325.17062 179.2
[M]- 325.17172 179.2
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