CID 151353

Hydroxyalachlor

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

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

InChI

InChI=1S/C14H21NO3/c1-4-11-7-6-8-12(5-2)14(11)15(10-18-3)13(17)9-16/h6-8,16H,4-5,9-10H2,1-3H3

InChIKey

CEFLNPUKMSWYFB-UHFFFAOYSA-N

Compound name

N-(2,6-diethylphenyl)-2-hydroxy-N-(methoxymethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 11
Patents: 251.15215 Da
Monoisotopic Mass: 2.2
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]+	252.159426	159.3
[M+Na]+	274.141368	165.3
[M-H]-	250.144874	162.8
[M+NH4]+	269.185973	176.5
[M+K]+	290.115308	164.2
[M+H-H2O]+	234.149410	152.5
[M+HCOO]-	296.150351	182.1
[M+CH3COO]-	310.166001	199.9
[M+Na-2H]-	272.126816	161.3
[M]+	251.15160142	163.4
[M]-	251.15269858	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe