CID 748023

10263-57-7

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

CCOC1=CC=CC=C1C(=O)NCC(=O)O

InChI

InChI=1S/C11H13NO4/c1-2-16-9-6-4-3-5-8(9)11(15)12-7-10(13)14/h3-6H,2,7H2,1H3,(H,12,15)(H,13,14)

InChIKey

OOWLKCOFLNMDFW-UHFFFAOYSA-N

Compound name

2-[(2-ethoxybenzoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1
Patents: 223.08446 Da
Monoisotopic Mass: 1.1
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]+	224.09174	147.8
[M+Na]+	246.07368	153.8
[M-H]-	222.07718	150.0
[M+NH4]+	241.11828	164.9
[M+K]+	262.04762	152.5
[M+H-H2O]+	206.08172	141.3
[M+HCOO]-	268.08266	170.5
[M+CH3COO]-	282.09831	188.4
[M+Na-2H]-	244.05913	151.6
[M]+	223.08391	149.2
[M]-	223.08501	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe