CID 19778895

Sodium 2-(4,6-dimethylpyrimidin-2-yl)acetate

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC1=CC(=NC(=N1)CC(=O)O)C

InChI

InChI=1S/C8H10N2O2/c1-5-3-6(2)10-7(9-5)4-8(11)12/h3H,4H2,1-2H3,(H,11,12)

InChIKey

LIYJRKQYMAPWGS-UHFFFAOYSA-N

Compound name

2-(4,6-dimethylpyrimidin-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 166.07423 Da
Monoisotopic Mass: 0.5
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]+	167.08151	134.5
[M+Na]+	189.06345	147.2
[M+NH4]+	184.10805	141.3
[M+K]+	205.03739	142.3
[M-H]-	165.06695	134.3
[M+Na-2H]-	187.04890	140.1
[M]+	166.07368	136.1
[M]-	166.07478	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe