CID 256205

70523-22-7

Structural Information

Molecular Formula

C₄H₅BN₂O₄

SMILES

B(C1=CNC(=O)NC1=O)(O)O

InChI

InChI=1S/C4H5BN2O4/c8-3-2(5(10)11)1-6-4(9)7-3/h1,10-11H,(H2,6,7,8,9)

InChIKey

PVEJOCQTIVCDNO-UHFFFAOYSA-N

Compound name

(2,4-dioxo-1H-pyrimidin-5-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 156.03424 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]+	157.04152	127.6
[M+Na]+	179.02346	138.2
[M+NH4]+	174.06806	132.3
[M+K]+	194.99740	136.1
[M-H]-	155.02696	124.6
[M+Na-2H]-	177.00891	131.0
[M]+	156.03369	127.7
[M]-	156.03479	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe