CID 130916702

4,6-dihydroxypyrimidine-5-carbonitrile

Structural Information

Molecular Formula

C₅H₃N₃O₂

SMILES

C1=NC(=C(C(=O)N1)C#N)O

InChI

InChI=1S/C5H3N3O2/c6-1-3-4(9)7-2-8-5(3)10/h2H,(H2,7,8,9,10)

InChIKey

ZTTZQYHGZCMWPG-UHFFFAOYSA-N

Compound name

4-hydroxy-6-oxo-1H-pyrimidine-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 137.02252 Da
Monoisotopic Mass: -0.4
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]+	138.02980	123.9
[M+Na]+	160.01174	135.2
[M-H]-	136.01524	122.5
[M+NH4]+	155.05634	139.7
[M+K]+	175.98568	132.6
[M+H-H2O]+	120.01978	110.9
[M+HCOO]-	182.02072	141.1
[M+CH3COO]-	196.03637	180.0
[M+Na-2H]-	157.99719	131.0
[M]+	137.02197	117.2
[M]-	137.02307	117.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe