CID 53562

N-(2-hydroxynicotinoyl)glycine

Structural Information

Molecular Formula

C₈H₈N₂O₄

SMILES

C1=CNC(=O)C(=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C8H8N2O4/c11-6(12)4-10-8(14)5-2-1-3-9-7(5)13/h1-3H,4H2,(H,9,13)(H,10,14)(H,11,12)

InChIKey

GRIBBPWZJUZGBB-UHFFFAOYSA-N

Compound name

2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 196.0484 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]+	197.05568	139.5
[M+Na]+	219.03762	148.9
[M+NH4]+	214.08222	144.4
[M+K]+	235.01156	146.1
[M-H]-	195.04112	138.0
[M+Na-2H]-	217.02307	143.3
[M]+	196.04785	139.8
[M]-	196.04895	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe