CID 53678611

Methyl 5-hydroxypyrimidine-2-carboxylate

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

COC(=O)C1=NC=C(C=N1)O

InChI

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

InChIKey

BEZDJOOHPCJDAY-UHFFFAOYSA-N

Compound name

methyl 5-hydroxypyrimidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 154.03784 Da
Monoisotopic Mass: -1.1
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	141.2
[M+NH4]+	172.07166	135.5
[M+K]+	193.00100	137.1
[M-H]-	153.03056	128.2
[M+Na-2H]-	175.01251	134.8
[M]+	154.03729	130.2
[M]-	154.03839	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe