CID 54544998

Dimethachlor-deschloro

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

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

InChI

InChI=1S/C13H19NO2/c1-10-6-5-7-11(2)13(10)14(12(3)15)8-9-16-4/h5-7H,8-9H2,1-4H3

InChIKey

ZFXDHJUIUORYOX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3
Patents: 221.14159 Da
Monoisotopic Mass: 1.9
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]+	222.14887	150.9
[M+Na]+	244.13081	157.9
[M-H]-	220.13431	156.1
[M+NH4]+	239.17541	170.2
[M+K]+	260.10475	157.3
[M+H-H2O]+	204.13885	144.4
[M+HCOO]-	266.13979	175.4
[M+CH3COO]-	280.15544	197.4
[M+Na-2H]-	242.11626	153.9
[M]+	221.14104	155.1
[M]-	221.14214	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe