CID 17750423

2-hydroxypyrimidine-5-boronic acid

Structural Information

Molecular Formula

C₄H₅BN₂O₃

SMILES

B(C1=CNC(=O)N=C1)(O)O

InChI

InChI=1S/C4H5BN2O3/c8-4-6-1-3(2-7-4)5(9)10/h1-2,9-10H,(H,6,7,8)

InChIKey

CUMUXKDXPIIDJE-UHFFFAOYSA-N

Compound name

(2-oxo-1H-pyrimidin-5-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 140.03932 Da
Monoisotopic Mass: None
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]+	141.04660	123.5
[M+Na]+	163.02854	132.3
[M-H]-	139.03204	121.0
[M+NH4]+	158.07314	140.4
[M+K]+	179.00248	129.8
[M+H-H2O]+	123.03658	117.4
[M+HCOO]-	185.03752	142.2
[M+CH3COO]-	199.05317	163.7
[M+Na-2H]-	161.01399	130.6
[M]+	140.03877	120.6
[M]-	140.03987	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe