CID 514103

3-hydroxypteridin-4-one

Structural Information

Molecular Formula

C₆H₄N₄O₂

SMILES

C1=CN=C2C(=N1)C(=O)N(C=N2)O

InChI

InChI=1S/C6H4N4O2/c11-6-4-5(8-2-1-7-4)9-3-10(6)12/h1-3,12H

InChIKey

HZDJBYRPYKLJEH-UHFFFAOYSA-N

Compound name

3-hydroxypteridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 164.03343 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]+	165.040706	130.9
[M+Na]+	187.022648	142.9
[M-H]-	163.026154	129.6
[M+NH4]+	182.067253	146.7
[M+K]+	202.996588	139.4
[M+H-H2O]+	147.030690	122.7
[M+HCOO]-	209.031631	150.0
[M+CH3COO]-	223.047281	143.9
[M+Na-2H]-	185.008096	141.9
[M]+	164.03288142	131.6
[M]-	164.03397858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe