CID 14924483

Alachlor oa

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CCC1=C(C(=CC=C1)CC)N(COC)C(=O)C(=O)O

InChI

InChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)

InChIKey

MHCYOELBTPOBIU-UHFFFAOYSA-N

Compound name

2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 20
Patents: 265.1314 Da
Monoisotopic Mass: 2.9
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]+	266.138676	160.8
[M+Na]+	288.120618	166.8
[M-H]-	264.124124	164.5
[M+NH4]+	283.165223	177.3
[M+K]+	304.094558	166.3
[M+H-H2O]+	248.128660	154.1
[M+HCOO]-	310.129601	183.1
[M+CH3COO]-	324.145251	201.4
[M+Na-2H]-	286.106066	161.7
[M]+	265.13085142	164.9
[M]-	265.13194858	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe