CID 72206969

1240622-58-5

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

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

InChI

InChI=1S/C7H8N2O3/c1-2-12-7(11)6-8-3-5(10)4-9-6/h3-4,10H,2H2,1H3

InChIKey

HXPCNJRSHKYNFO-UHFFFAOYSA-N

Compound name

ethyl 5-hydroxypyrimidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.0535 Da
Monoisotopic Mass: -0.7
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	133.4
[M+Na]+	191.04272	145.4
[M+NH4]+	186.08732	139.8
[M+K]+	207.01666	141.1
[M-H]-	167.04622	132.7
[M+Na-2H]-	189.02817	139.0
[M]+	168.05295	134.6
[M]-	168.05405	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.