CID 84049010

2551114-52-2

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

C1=CN=CN=C1OCC(=O)O

InChI

InChI=1S/C6H6N2O3/c9-6(10)3-11-5-1-2-7-4-8-5/h1-2,4H,3H2,(H,9,10)

InChIKey

AYGSTFBXNTZECB-UHFFFAOYSA-N

Compound name

2-pyrimidin-4-yloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.03784 Da
Monoisotopic Mass: 0.1
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]+	155.04512	129.0
[M+Na]+	177.02706	140.8
[M+NH4]+	172.07166	135.5
[M+K]+	193.00100	136.5
[M-H]-	153.03056	128.2
[M+Na-2H]-	175.01251	135.1
[M]+	154.03729	130.1
[M]-	154.03839	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.