CID 17750423

373384-19-1

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: 57
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	124.5
[M+Na]+	163.02854	135.7
[M+NH4]+	158.07314	130.4
[M+K]+	179.00248	132.6
[M-H]-	139.03204	122.7
[M+Na-2H]-	161.01399	129.4
[M]+	140.03877	125.1
[M]-	140.03987	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe