CID 39722

Dimethachlor

Structural Information

Molecular Formula

C₁₃H₁₈ClNO₂

SMILES

CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CCl

InChI

InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3

InChIKey

SCCDDNKJYDZXMM-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 7
References: 19919
Patents: 255.1026 Da
Monoisotopic Mass: 2.3
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]+	256.10988	157.3
[M+Na]+	278.09182	165.0
[M-H]-	254.09532	162.3
[M+NH4]+	273.13642	176.0
[M+K]+	294.06576	162.4
[M+H-H2O]+	238.09986	151.5
[M+HCOO]-	300.10080	177.2
[M+CH3COO]-	314.11645	201.1
[M+Na-2H]-	276.07727	159.8
[M]+	255.10205	163.5
[M]-	255.10315	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe