CID 4737556

2-(2-nitrobenzamido)acetic acid

Structural Information

Molecular Formula

C₉H₈N₂O₅

SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O5/c12-8(13)5-10-9(14)6-3-1-2-4-7(6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)

InChIKey

HUKQWHBZPIMEDH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 224.04332 Da
Monoisotopic Mass: -0.2
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]+	225.05060	144.1
[M+Na]+	247.03254	154.1
[M+NH4]+	242.07714	149.7
[M+K]+	263.00648	153.6
[M-H]-	223.03604	145.2
[M+Na-2H]-	245.01799	148.2
[M]+	224.04277	145.2
[M]-	224.04387	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe