CID 2306682

3-[(2-methoxyphenyl)formamido]propanoic acid

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

COC1=CC=CC=C1C(=O)NCCC(=O)O

InChI

InChI=1S/C11H13NO4/c1-16-9-5-3-2-4-8(9)11(15)12-7-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)

InChIKey

SAXZUBJYBCFOER-UHFFFAOYSA-N

Compound name

3-[(2-methoxybenzoyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 223.08446 Da
Monoisotopic Mass: 0.4
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

No literature data available for this compound.

Patent stripe

patents stripe