CID 4049157

142172-97-2

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC(=CC=C1C2=NC=C(C=N2)O)O

InChI

InChI=1S/C10H8N2O2/c13-8-3-1-7(2-4-8)10-11-5-9(14)6-12-10/h1-6,13-14H

InChIKey

BKOPBDRWHKDPPN-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)pyrimidin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 188.05858 Da
Monoisotopic Mass: 1.2
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]+	189.065856	138.2
[M+Na]+	211.047798	147.6
[M-H]-	187.051304	140.3
[M+NH4]+	206.092403	153.9
[M+K]+	227.021738	143.5
[M+H-H2O]+	171.055840	130.5
[M+HCOO]-	233.056781	158.7
[M+CH3COO]-	247.072431	150.8
[M+Na-2H]-	209.033246	146.2
[M]+	188.05803142	136.8
[M]-	188.05912858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe