CID 4366776

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

Structural Information

Molecular Formula

C₉H₁₀N₂O₃

SMILES

C1=CC(=CC=C1C(=O)N)NCC(=O)O

InChI

InChI=1S/C9H10N2O3/c10-9(14)6-1-3-7(4-2-6)11-5-8(12)13/h1-4,11H,5H2,(H2,10,14)(H,12,13)

InChIKey

VYFGVOMFCZSJPI-UHFFFAOYSA-N

Compound name

2-(4-carbamoylanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 194.06914 Da
Monoisotopic Mass: -0.5
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]+	195.07642	140.0
[M+Na]+	217.05836	146.0
[M-H]-	193.06186	142.0
[M+NH4]+	212.10296	157.6
[M+K]+	233.03230	144.2
[M+H-H2O]+	177.06640	133.6
[M+HCOO]-	239.06734	163.5
[M+CH3COO]-	253.08299	185.5
[M+Na-2H]-	215.04381	144.0
[M]+	194.06859	137.5
[M]-	194.06969	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe