CID 4192667

Pyrimidine-5-boronic acid, pinacol ester

Structural Information

Molecular Formula
C10H15BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CN=C2
InChI
InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-12-7-13-6-8/h5-7H,1-4H3
InChIKey
WSRGGSAGSUEJKQ-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

808
Patents

206.12267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12995 139.8
[M+Na]+ 229.11189 149.7
[M-H]- 205.11539 145.8
[M+NH4]+ 224.15649 159.5
[M+K]+ 245.08583 150.6
[M+H-H2O]+ 189.11993 133.5
[M+HCOO]- 251.12087 159.3
[M+CH3COO]- 265.13652 184.1
[M+Na-2H]- 227.09734 147.6
[M]+ 206.12212 142.4
[M]- 206.12322 142.4
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