CID 2795193

(pyrimidin-5-yl)boronic acid

Structural Information

Molecular Formula
C4H5BN2O2
SMILES
B(C1=CN=CN=C1)(O)O
InChI
InChI=1S/C4H5BN2O2/c8-5(9)4-1-6-3-7-2-4/h1-3,8-9H
InChIKey
HZFPPBMKGYINDF-UHFFFAOYSA-N
Compound name
pyrimidin-5-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5874
Patents

124.04441 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.051686 120.7
[M+Na]+ 147.033628 128.8
[M-H]- 123.037134 119.2
[M+NH4]+ 142.078233 138.7
[M+K]+ 163.007568 127.3
[M+H-H2O]+ 107.041670 114.3
[M+HCOO]- 169.042611 140.5
[M+CH3COO]- 183.058261 163.7
[M+Na-2H]- 145.019076 129.1
[M]+ 124.04386142 118.6
[M]- 124.04495858 118.6
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