CID 555963

2731671-59-1

Structural Information

Molecular Formula

C₇H₆N₂O₃

SMILES

C1=CC=NC(=C1)NC(=O)C(=O)O

InChI

InChI=1S/C7H6N2O3/c10-6(7(11)12)9-5-3-1-2-4-8-5/h1-4H,(H,11,12)(H,8,9,10)

InChIKey

RQLBRIIHVJSCTG-UHFFFAOYSA-N

Compound name

2-oxo-2-(pyridin-2-ylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 166.03784 Da
Monoisotopic Mass: 0.6
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]+	167.04512	131.5
[M+Na]+	189.02706	138.5
[M-H]-	165.03056	132.7
[M+NH4]+	184.07166	149.4
[M+K]+	205.00100	137.4
[M+H-H2O]+	149.03510	124.9
[M+HCOO]-	211.03604	154.1
[M+CH3COO]-	225.05169	174.9
[M+Na-2H]-	187.01251	138.2
[M]+	166.03729	130.0
[M]-	166.03839	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe