CID 86290105

Dimethachlor oxa

Structural Information

Molecular Formula

C₁₃H₁₇NO₄

SMILES

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

InChI

InChI=1S/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)

InChIKey

MHGMSAFPNAKIRZ-UHFFFAOYSA-N

Compound name

2-[N-(2-methoxyethyl)-2,6-dimethylanilino]-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 251.11575 Da
Monoisotopic Mass: 1.8
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]+	252.123026	156.1
[M+Na]+	274.104968	162.5
[M-H]-	250.108474	160.0
[M+NH4]+	269.149573	173.1
[M+K]+	290.078908	162.2
[M+H-H2O]+	234.113010	149.5
[M+HCOO]-	296.113951	178.7
[M+CH3COO]-	310.129601	198.4
[M+Na-2H]-	272.090416	157.5
[M]+	251.11520142	159.8
[M]-	251.11629858	159.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.