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
4
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 165.6
[M+Na]+ 308.12908 169.7
[M-H]- 284.13258 167.0
[M+NH4]+ 303.17368 180.8
[M+K]+ 324.10302 166.3
[M+H-H2O]+ 268.13712 159.4
[M+HCOO]- 330.13806 177.6
[M+CH3COO]- 344.15371 203.2
[M+Na-2H]- 306.11453 161.0
[M]+ 285.13931 165.4
[M]- 285.14041 165.4
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.