CID 82652834

2377035-58-8

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

COC1=NC=NC(=C1)CC(=O)O

InChI

InChI=1S/C7H8N2O3/c1-12-6-2-5(3-7(10)11)8-4-9-6/h2,4H,3H2,1H3,(H,10,11)

InChIKey

HAUCUHJEZARYPJ-UHFFFAOYSA-N

Compound name

2-(6-methoxypyrimidin-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.0535 Da
Monoisotopic Mass: 0.0
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]+	169.06078	133.2
[M+Na]+	191.04272	145.2
[M+NH4]+	186.08732	139.6
[M+K]+	207.01666	140.9
[M-H]-	167.04622	132.5
[M+Na-2H]-	189.02817	138.9
[M]+	168.05295	134.4
[M]-	168.05405	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.