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

25
Patents

222.11757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12485 142.7
[M+Na]+ 245.10679 153.3
[M-H]- 221.11029 147.8
[M+NH4]+ 240.15139 161.3
[M+K]+ 261.08073 153.1
[M+H-H2O]+ 205.11483 137.0
[M+HCOO]- 267.11577 161.0
[M+CH3COO]- 281.13142 184.3
[M+Na-2H]- 243.09224 149.6
[M]+ 222.11702 144.7
[M]- 222.11812 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