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

224
Patents

156.03424 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04152 126.2
[M+Na]+ 179.02346 135.6
[M-H]- 155.02696 122.7
[M+NH4]+ 174.06806 141.8
[M+K]+ 194.99740 132.2
[M+H-H2O]+ 139.03150 120.4
[M+HCOO]- 201.03244 143.7
[M+CH3COO]- 215.04809 164.1
[M+Na-2H]- 177.00891 131.9
[M]+ 156.03369 122.6
[M]- 156.03479 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe