CID 12626246

344325-94-6

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

COC1=CN=C(N=C1)C(=O)O

InChI

InChI=1S/C6H6N2O3/c1-11-4-2-7-5(6(9)10)8-3-4/h2-3H,1H3,(H,9,10)

InChIKey

WJCNQFLMFOMNJR-UHFFFAOYSA-N

Compound name

5-methoxypyrimidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 154.03784 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]+	155.04512	128.8
[M+Na]+	177.02706	141.0
[M+NH4]+	172.07166	135.3
[M+K]+	193.00100	136.9
[M-H]-	153.03056	128.1
[M+Na-2H]-	175.01251	134.7
[M]+	154.03729	130.0
[M]-	154.03839	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe