CID 44755196

2-hydroxypyrimidine-5-boronic acid pinacol ester

Structural Information

Molecular Formula
C10H15BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC(=O)N=C2
InChI
InChI=1S/C10H15BN2O3/c1-9(2)10(3,4)16-11(15-9)7-5-12-8(14)13-6-7/h5-6H,1-4H3,(H,12,13,14)
InChIKey
JRCSRFGCQSLWNZ-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

222.11757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.124846 142.7
[M+Na]+ 245.106788 153.3
[M-H]- 221.110294 147.8
[M+NH4]+ 240.151393 161.3
[M+K]+ 261.080728 153.1
[M+H-H2O]+ 205.114830 137.0
[M+HCOO]- 267.115771 161.0
[M+CH3COO]- 281.131421 184.3
[M+Na-2H]- 243.092236 149.6
[M]+ 222.11702142 144.7
[M]- 222.11811858 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe