CID 937988

51220-52-1

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)O

InChI

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

InChIKey

GPMRNXJNBIOINZ-UHFFFAOYSA-N

Compound name

2-[(4-ethoxybenzoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.08446 Da
Monoisotopic Mass: 0.1
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]+	224.091736	147.8
[M+Na]+	246.073678	153.8
[M-H]-	222.077184	150.0
[M+NH4]+	241.118283	164.9
[M+K]+	262.047618	152.5
[M+H-H2O]+	206.081720	141.3
[M+HCOO]-	268.082661	170.5
[M+CH3COO]-	282.098311	188.4
[M+Na-2H]-	244.059126	151.6
[M]+	223.08391142	149.2
[M]-	223.08500858	149.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.