CID 139594643

Clethodim imine sulfoxide

Structural Information

Molecular Formula
C14H23NO3S
SMILES
CCC(=N)C1=C(CC(CC1=O)CC(C)S(=O)CC)O
InChI
InChI=1S/C14H23NO3S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)19(18)5-2/h9-10,15-16H,4-8H2,1-3H3
InChIKey
CWWXBEOBWOJDQS-UHFFFAOYSA-N
Compound name
5-(2-ethylsulfinylpropyl)-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

285.13986 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14714 167.3
[M+Na]+ 308.12908 174.5
[M+NH4]+ 303.17368 172.9
[M+K]+ 324.10302 168.8
[M-H]- 284.13258 167.0
[M+Na-2H]- 306.11453 168.0
[M]+ 285.13931 168.2
[M]- 285.14041 168.2
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

No patent data available for this compound.