CID 179957

Metolachlor morpholinone

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CCC1=CC=CC(=C1N2C(COCC2=O)C)C

InChI

InChI=1S/C14H19NO2/c1-4-12-7-5-6-10(2)14(12)15-11(3)8-17-9-13(15)16/h5-7,11H,4,8-9H2,1-3H3

InChIKey

DVBDYPDVNRJKNJ-UHFFFAOYSA-N

Compound name

4-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 233.14159 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.148866	153.8
[M+Na]+	256.130808	161.5
[M-H]-	232.134314	159.8
[M+NH4]+	251.175413	169.6
[M+K]+	272.104748	159.6
[M+H-H2O]+	216.138850	146.1
[M+HCOO]-	278.139791	172.3
[M+CH3COO]-	292.155441	193.6
[M+Na-2H]-	254.116256	156.9
[M]+	233.14104142	153.5
[M]-	233.14213858	153.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.